N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C20H19N3O2S — CID 118694660

IUPACN-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc4c(c3)OCC(N)C4)cc2)cs1
InChIInChI=1S/C20H19N3O2S/c1-12-22-18(11-26-12)13-2-4-14(5-3-13)20(24)23-17-7-6-15-8-16(21)10-25-19(15)9-17/h2-7,9,11,16H,8,10,21H2,1H3,(H,23,24)
InChIKeyZNDPFPKYIDQXPG-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.63
Rot. Bonds3

About N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 118694660) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID118694660
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc4c(c3)OCC(N)C4)cc2)cs1
InChIInChI=1S/C20H19N3O2S/c1-12-22-18(11-26-12)13-2-4-14(5-3-13)20(24)23-17-7-6-15-8-16(21)10-25-19(15)9-17/h2-7,9,11,16H,8,10,21H2,1H3,(H,23,24)
InChIKeyZNDPFPKYIDQXPG-UHFFFAOYSA-N
XLogP3.63
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8533850
2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
CID 167960554
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 118694804
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 26953310
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
(3S)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51547874
4-[methyl(prop-2-enoyl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 166413633

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 118694660) is N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)Nc3ccc4c(c3)OCC(N)C4)cc2)cs1.
What is the InChIKey of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is ZNDPFPKYIDQXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-22-18(11-26-12)13-2-4-14(5-3-13)20(24)23-17-7-6-15-8-16(21)10-25-19(15)9-17/h2-7,9,11,16H,8,10,21H2,1H3,(H,23,24).
What are the key properties of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 118694660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).