N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide

C16H13N3O2S2 — CID 71794708

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O2S2/c20-14(19-16-18-11-6-7-21-8-13(11)23-16)12-9-22-15(17-12)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,18,19,20)
InChIKeyZGFZPSHYEVXEKP-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.59
Rot. Bonds3

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 71794708) has the molecular formula C16H13N3O2S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID71794708
Molecular FormulaC16H13N3O2S2
Molecular Weight343.43 g/mol
Exact Mass343.04
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc2c(s1)COCC2)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O2S2/c20-14(19-16-18-11-6-7-21-8-13(11)23-16)12-9-22-15(17-12)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,18,19,20)
InChIKeyZGFZPSHYEVXEKP-UHFFFAOYSA-N
XLogP3.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51205846
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyltriazole-4-carboxamide
CID 90543512
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
4-(aminomethyl)-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)benzamide
CID 119317040
2-(furan-2-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36808320
7-chloro-N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)quinoline-2-carboxamide
CID 71923097
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 128553213
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71794719
2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide
CID 35994648
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3,4-dimethylbenzamide
CID 90543562
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 71794708) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1nc2c(s1)COCC2)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZGFZPSHYEVXEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S2/c20-14(19-16-18-11-6-7-21-8-13(11)23-16)12-9-22-15(17-12)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,18,19,20).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71794708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).