2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C20H17ClN2O2S — CID 9193279

IUPAC2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C20H17ClN2O2S/c1-12-18(26-20(22-12)13-5-4-6-14(21)11-13)19(24)23-16-9-10-25-17-8-3-2-7-15(16)17/h2-8,11,16H,9-10H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyCZYZMEHTRHSYIX-MRXNPFEDSA-N
MW384.89 g/mol
LogP5.03
Rot. Bonds3

About 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 9193279) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID9193279
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C20H17ClN2O2S/c1-12-18(26-20(22-12)13-5-4-6-14(21)11-13)19(24)23-16-9-10-25-17-8-3-2-7-15(16)17/h2-8,11,16H,9-10H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyCZYZMEHTRHSYIX-MRXNPFEDSA-N
XLogP5.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
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CID 55460695
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
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2-(3-chlorophenyl)-4-methyl-N-(7-oxoazepan-4-yl)-1,3-thiazole-5-carboxamide
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CID 46551376
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
CID 31284395
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24673326
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 9193279) is 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CZYZMEHTRHSYIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-12-18(26-20(22-12)13-5-4-6-14(21)11-13)19(24)23-16-9-10-25-17-8-3-2-7-15(16)17/h2-8,11,16H,9-10H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9193279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).