N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide

C17H19N3O2S — CID 97252059

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)N[C@@H](C)c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O2S/c1-10(14-9-12-7-5-6-8-13(12)22-14)18-16(21)15-11(2)19-17(23-15)20(3)4/h5-10H,1-4H3,(H,18,21)/t10-/m0/s1
InChIKeyNCOSZOYCEUACJD-JTQLQIEISA-N
MW329.43 g/mol
LogP3.75
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 97252059) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID97252059
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)N[C@@H](C)c1cc2ccccc2o1
InChIInChI=1S/C17H19N3O2S/c1-10(14-9-12-7-5-6-8-13(12)22-14)18-16(21)15-11(2)19-17(23-15)20(3)4/h5-10H,1-4H3,(H,18,21)/t10-/m0/s1
InChIKeyNCOSZOYCEUACJD-JTQLQIEISA-N
XLogP3.75
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Trans-N-(4-(2-(((S)-2-amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)(propyl)amino)ethyl)cyclohexyl)benzofuran-2-carboxamide
CID 25131138
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 734562
Methyl 4-methyl-2-{[(3-methyl-1-benzofuran-2-yl)carbonyl]amino}-1,3-thiazole-5-carboxylate
CID 659858
N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 1245933
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2531071
1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144370
(S)-2,4-dimethyl-N-((2-methylbenzofuran-5-ylamino)(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-ylamino)methylene)thiazole-5-carboxamide
CID 44578034
(4-(Furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone
CID 44581365
(4-(Furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-yl)(phenyl)methanone
CID 44581366
N-(2-(5-benzoyl-4-(furan-2-yl)thiazol-2-ylamino)ethyl)acetamide
CID 44581368
1-(4-(5-Benzoyl-4-(furan-2-yl)thiazol-2-ylamino)piperidin-1-yl)ethanone
CID 44581369

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide (CID 97252059) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N(C)C)sc1C(=O)N[C@@H](C)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NCOSZOYCEUACJD-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10(14-9-12-7-5-6-8-13(12)22-14)18-16(21)15-11(2)19-17(23-15)20(3)4/h5-10H,1-4H3,(H,18,21)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97252059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).