6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C14H13ClN2O2S — CID 17463112

IUPAC6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cnc(NC(=O)C2COc3ccc(Cl)cc3C2)s1
InChIInChI=1S/C14H13ClN2O2S/c1-8-6-16-14(20-8)17-13(18)10-4-9-5-11(15)2-3-12(9)19-7-10/h2-3,5-6,10H,4,7H2,1H3,(H,16,17,18)
InChIKeyBJLBICOYDABKRZ-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.29
Rot. Bonds2

About 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 17463112) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID17463112
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1cnc(NC(=O)C2COc3ccc(Cl)cc3C2)s1
InChIInChI=1S/C14H13ClN2O2S/c1-8-6-16-14(20-8)17-13(18)10-4-9-5-11(15)2-3-12(9)19-7-10/h2-3,5-6,10H,4,7H2,1H3,(H,16,17,18)
InChIKeyBJLBICOYDABKRZ-UHFFFAOYSA-N
XLogP3.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-6-chloro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41095377
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 94450034
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
(3S)-6-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 27698154
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-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55516567
N-(4-bromo-2-chloro-6-methylphenyl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 112831322
(3R)-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9083772
6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17476770
(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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 17463112) is 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is Cc1cnc(NC(=O)C2COc3ccc(Cl)cc3C2)s1.
What is the InChIKey of 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is BJLBICOYDABKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-8-6-16-14(20-8)17-13(18)10-4-9-5-11(15)2-3-12(9)19-7-10/h2-3,5-6,10H,4,7H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 17463112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).