(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H20N2O2S — CID 97281473

IUPAC(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1nc(CCNC(=O)[C@@H]2COc3ccccc3C2)sc1C
InChIInChI=1S/C17H20N2O2S/c1-11-12(2)22-16(19-11)7-8-18-17(20)14-9-13-5-3-4-6-15(13)21-10-14/h3-6,14H,7-10H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyWFBUQJPGPJKSQI-AWEZNQCLSA-N
MW316.43 g/mol
LogP2.67
Rot. Bonds4

About (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97281473) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97281473
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1nc(CCNC(=O)[C@@H]2COc3ccccc3C2)sc1C
InChIInChI=1S/C17H20N2O2S/c1-11-12(2)22-16(19-11)7-8-18-17(20)14-9-13-5-3-4-6-15(13)21-10-14/h3-6,14H,7-10H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyWFBUQJPGPJKSQI-AWEZNQCLSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97273369
(3S)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97273370
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72901030
N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72837426
(3S)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97029666
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(4S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97434258
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72914710
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97123548
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97281473) is (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is Cc1nc(CCNC(=O)[C@@H]2COc3ccccc3C2)sc1C.
What is the InChIKey of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is WFBUQJPGPJKSQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-12(2)22-16(19-11)7-8-18-17(20)14-9-13-5-3-4-6-15(13)21-10-14/h3-6,14H,7-10H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97281473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).