(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H14N2O3S — CID 51949503

IUPAC(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C17H14N2O3S/c20-16(12-8-11-4-1-2-5-14(11)22-9-12)19-17-18-13(10-23-17)15-6-3-7-21-15/h1-7,10,12H,8-9H2,(H,18,19,20)/t12-/m0/s1
InChIKeyXLZPYXAUVJJKNN-LBPRGKRZSA-N
MW326.38 g/mol
LogP3.59
Rot. Bonds3

About (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 51949503) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID51949503
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)[C@@H]1COc2ccccc2C1
InChIInChI=1S/C17H14N2O3S/c20-16(12-8-11-4-1-2-5-14(11)22-9-12)19-17-18-13(10-23-17)15-6-3-7-21-15/h1-7,10,12H,8-9H2,(H,18,19,20)/t12-/m0/s1
InChIKeyXLZPYXAUVJJKNN-LBPRGKRZSA-N
XLogP3.59
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17491569
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044812
(1R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 51949489
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42887046
(3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51981747
(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565914
(2R,3R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565913
1-(1,3-benzodioxole-5-carbonyl)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]azetidine-3-carboxamide
CID 71785385
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 60549609
6-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17476770
N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 116798426
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 51949503) is (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)[C@@H]1COc2ccccc2C1.
What is the InChIKey of (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is XLZPYXAUVJJKNN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H14N2O3S/c20-16(12-8-11-4-1-2-5-14(11)22-9-12)19-17-18-13(10-23-17)15-6-3-7-21-15/h1-7,10,12H,8-9H2,(H,18,19,20)/t12-/m0/s1.
What are the key properties of (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 51949503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).