6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C23H19ClN4O2S — CID 55516567

IUPAC6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCn1ccnc1-c1sc(NC(=O)C2COc3ccc(Cl)cc3C2)nc1-c1ccccc1
InChIInChI=1S/C23H19ClN4O2S/c1-28-10-9-25-21(28)20-19(14-5-3-2-4-6-14)26-23(31-20)27-22(29)16-11-15-12-17(24)7-8-18(15)30-13-16/h2-10,12,16H,11,13H2,1H3,(H,26,27,29)
InChIKeyQELKQMZDWXCTGB-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.05
Rot. Bonds4

About 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 55516567) has the molecular formula C23H19ClN4O2S and a molecular weight of 450.95 g/mol. Its IUPAC name is 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID55516567
Molecular FormulaC23H19ClN4O2S
Molecular Weight450.95 g/mol
Exact Mass450.09
IUPAC Name6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCn1ccnc1-c1sc(NC(=O)C2COc3ccc(Cl)cc3C2)nc1-c1ccccc1
InChIInChI=1S/C23H19ClN4O2S/c1-28-10-9-25-21(28)20-19(14-5-3-2-4-6-14)26-23(31-20)27-22(29)16-11-15-12-17(24)7-8-18(15)30-13-16/h2-10,12,16H,11,13H2,1H3,(H,26,27,29)
InChIKeyQELKQMZDWXCTGB-UHFFFAOYSA-N
XLogP5.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17463112
cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 97184901
(3R)-6-chloro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41095377
1-(2-ethylphenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55517163
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]prop-2-enamide
CID 55517520
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 55517443
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75470240
2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55515066
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
2,4,5-trimethyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 75466522
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 56555641

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 55516567) is 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is Cn1ccnc1-c1sc(NC(=O)C2COc3ccc(Cl)cc3C2)nc1-c1ccccc1.
What is the InChIKey of 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is QELKQMZDWXCTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2S/c1-28-10-9-25-21(28)20-19(14-5-3-2-4-6-14)26-23(31-20)27-22(29)16-11-15-12-17(24)7-8-18(15)30-13-16/h2-10,12,16H,11,13H2,1H3,(H,26,27,29).
What are the key properties of 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 450.95 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 55516567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).