2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide

C24H35N7OS2 — CID 142229535

IUPAC2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(C)c1nc(NCC2CCCCC2)nc2ccccc12.CNSc1sc(NC(C)=O)nc1C
InChIInChI=1S/C17H24N4.C7H11N3OS2/c1-21(2)16-14-10-6-7-11-15(14)19-17(20-16)18-12-13-8-4-3-5-9-13;1-4-6(13-8-3)12-7(9-4)10-5(2)11/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19,20);8H,1-3H3,(H,9,10,11)
InChIKeyPTAZZCIAMXAPIV-UHFFFAOYSA-N
MW501.73 g/mol
LogP5.32
Rot. Bonds7

About 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide

2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 142229535) has the molecular formula C24H35N7OS2 and a molecular weight of 501.73 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide
PubChem CID142229535
Molecular FormulaC24H35N7OS2
Molecular Weight501.73 g/mol
Exact Mass501.23
IUPAC Name2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(C)c1nc(NCC2CCCCC2)nc2ccccc12.CNSc1sc(NC(C)=O)nc1C
InChIInChI=1S/C17H24N4.C7H11N3OS2/c1-21(2)16-14-10-6-7-11-15(14)19-17(20-16)18-12-13-8-4-3-5-9-13;1-4-6(13-8-3)12-7(9-4)10-5(2)11/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19,20);8H,1-3H3,(H,9,10,11)
InChIKeyPTAZZCIAMXAPIV-UHFFFAOYSA-N
XLogP5.32
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.73
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-butylsulfanylmethanamine;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142228536
N-[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]cyclohexanecarboxamide
CID 142228752
4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 68850271
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239
4-N,4-N-dimethyl-2-N-[[4-[(naphthalen-1-ylsulfanylamino)methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142230861
4-N,4-N-dimethyl-2-N-[[4-[[[2-(trifluoromethoxy)phenyl]sulfanylamino]methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 163916490
1-(cyclohexylmethyl)-3-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]thiourea
CID 87612122
4-N,4-N-dimethyl-2-N-[[4-[[(5-methyl-2,3-dihydro-1H-imidazol-4-yl)methylamino]methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142229651
N-[2-chloro-4-[(E)-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methylamino]-ethylidene-λ4-sulfanyl]phenyl]acetamide
CID 142229357
2-(cyclohexen-1-yl)-N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]acetamide
CID 142228886
5-bromo-6-chloro-N-methylpyridine-3-sulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142228889
2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142228403

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide (CID 142229535) is 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide is CN(C)c1nc(NCC2CCCCC2)nc2ccccc12.CNSc1sc(NC(C)=O)nc1C.
What is the InChIKey of 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PTAZZCIAMXAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.C7H11N3OS2/c1-21(2)16-14-10-6-7-11-15(14)19-17(20-16)18-12-13-8-4-3-5-9-13;1-4-6(13-8-3)12-7(9-4)10-5(2)11/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19,20);8H,1-3H3,(H,9,10,11).
What are the key properties of 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide?
2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 501.73 g/mol, XLogP of 5.32, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine;N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142229535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).