N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide

C12H17N5O2S2 — CID 62157737

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCc2csc(C)n2)cn1
InChIInChI=1S/C12H17N5O2S2/c1-3-4-13-12-14-6-11(7-15-12)21(18,19)16-5-10-8-20-9(2)17-10/h6-8,16H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyLOZBAWJZZDSCSC-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.54
Rot. Bonds7

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide (PubChem CID 62157737) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide
PubChem CID62157737
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)NCc2csc(C)n2)cn1
InChIInChI=1S/C12H17N5O2S2/c1-3-4-13-12-14-6-11(7-15-12)21(18,19)16-5-10-8-20-9(2)17-10/h6-8,16H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyLOZBAWJZZDSCSC-UHFFFAOYSA-N
XLogP1.54
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 61284804
2-(propylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 62142703
4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3245366
N-(2,2-dimethylpropyl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 62147457
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
5-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61282417
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 61066738
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 47044569
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide (CID 62157737) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)NCc2csc(C)n2)cn1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide?
The InChIKey is LOZBAWJZZDSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c1-3-4-13-12-14-6-11(7-15-12)21(18,19)16-5-10-8-20-9(2)17-10/h6-8,16H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide has a molecular weight of 327.44 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62157737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).