(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide

C19H16N2O2S — CID 124527741

IUPAC(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1scnc1-c1ccccc1)[C@H]1CCOc2ccccc21
InChIInChI=1S/C19H16N2O2S/c22-18(15-10-11-23-16-9-5-4-8-14(15)16)21-19-17(20-12-24-19)13-6-2-1-3-7-13/h1-9,12,15H,10-11H2,(H,21,22)/t15-/m0/s1
InChIKeyPWLDENQRPZDQOP-HNNXBMFYSA-N
MW336.42 g/mol
LogP4.31
Rot. Bonds3

About (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide

(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 124527741) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID124527741
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
SMILESO=C(Nc1scnc1-c1ccccc1)[C@H]1CCOc2ccccc21
InChIInChI=1S/C19H16N2O2S/c22-18(15-10-11-23-16-9-5-4-8-14(15)16)21-19-17(20-12-24-19)13-6-2-1-3-7-13/h1-9,12,15H,10-11H2,(H,21,22)/t15-/m0/s1
InChIKeyPWLDENQRPZDQOP-HNNXBMFYSA-N
XLogP4.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708496
N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 71862202
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130
N-(4-methyl-1H-pyrazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 112691321
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]butanoic acid
CID 97211252
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-(1-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648022
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79041186

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide (CID 124527741) is (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide is O=C(Nc1scnc1-c1ccccc1)[C@H]1CCOc2ccccc21.
What is the InChIKey of (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is PWLDENQRPZDQOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18(15-10-11-23-16-9-5-4-8-14(15)16)21-19-17(20-12-24-19)13-6-2-1-3-7-13/h1-9,12,15H,10-11H2,(H,21,22)/t15-/m0/s1.
What are the key properties of (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide?
(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 124527741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).