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

C18H14ClN3O2S — CID 17476770

IUPAC6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C18H14ClN3O2S/c19-14-3-4-16-12(7-14)6-13(9-24-16)17(23)22-18-21-15(10-25-18)11-2-1-5-20-8-11/h1-5,7-8,10,13H,6,9H2,(H,21,22,23)
InChIKeyASOVBCIOIFOKSI-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.05
Rot. Bonds3

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

6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 17476770) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID17476770
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C18H14ClN3O2S/c19-14-3-4-16-12(7-14)6-13(9-24-16)17(23)22-18-21-15(10-25-18)11-2-1-5-20-8-11/h1-5,7-8,10,13H,6,9H2,(H,21,22,23)
InChIKeyASOVBCIOIFOKSI-UHFFFAOYSA-N
XLogP4.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 94450034
(3R)-6-chloro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41095377
6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17463112
6-chloro-N-[3-(pyridin-3-ylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55804721
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25353564
trans-(1S,2S)-2-(2-chlorophenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 40973916
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17491569
(3R)-6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9074373
(3S)-1-(2-chlorophenyl)-5-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 25329053
6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55516567
(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51949503
(3S)-1-oxo-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydroisochromene-3-carboxamide
CID 51970229

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 17476770) is 6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ASOVBCIOIFOKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-14-3-4-16-12(7-14)6-13(9-24-16)17(23)22-18-21-15(10-25-18)11-2-1-5-20-8-11/h1-5,7-8,10,13H,6,9H2,(H,21,22,23).
What are the key properties of 6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 371.85 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 17476770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).