(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide

C15H13ClN2O3S — CID 94450034

IUPAC(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)n1
InChIInChI=1S/C15H13ClN2O3S/c1-8(19)12-7-22-15(17-12)18-14(20)10-4-9-5-11(16)2-3-13(9)21-6-10/h2-3,5,7,10H,4,6H2,1H3,(H,17,18,20)/t10-/m1/s1
InChIKeyLUNJWGJTKZBNTC-SNVBAGLBSA-N
MW336.80 g/mol
LogP3.19
Rot. Bonds3

About (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 94450034) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol. Its IUPAC name is (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID94450034
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)n1
InChIInChI=1S/C15H13ClN2O3S/c1-8(19)12-7-22-15(17-12)18-14(20)10-4-9-5-11(16)2-3-13(9)21-6-10/h2-3,5,7,10H,4,6H2,1H3,(H,17,18,20)/t10-/m1/s1
InChIKeyLUNJWGJTKZBNTC-SNVBAGLBSA-N
XLogP3.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-6-chloro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41095377
6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17476770
6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17463112
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
2-[[(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245316
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
6-chloro-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 47011351
6-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 55732003
6-chloro-N-[3-(2-methylpropanoylamino)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55609725
3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoic acid
CID 124704665

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide (CID 94450034) is (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide is CC(=O)c1csc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)n1.
What is the InChIKey of (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LUNJWGJTKZBNTC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-8(19)12-7-22-15(17-12)18-14(20)10-4-9-5-11(16)2-3-13(9)21-6-10/h2-3,5,7,10H,4,6H2,1H3,(H,17,18,20)/t10-/m1/s1.
What are the key properties of (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 336.80 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 94450034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).