(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C17H20N2O3S — CID 97123548

IUPAC(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)NCc1nc(C)c(C)s1)C2
InChIInChI=1S/C17H20N2O3S/c1-10-11(2)23-16(19-10)8-18-17(20)13-6-12-4-5-14(21-3)7-15(12)22-9-13/h4-5,7,13H,6,8-9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyVMZFJZFZKRBVEZ-ZDUSSCGKSA-N
MW332.43 g/mol
LogP2.64
Rot. Bonds4

About (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97123548) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97123548
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)NCc1nc(C)c(C)s1)C2
InChIInChI=1S/C17H20N2O3S/c1-10-11(2)23-16(19-10)8-18-17(20)13-6-12-4-5-14(21-3)7-15(12)22-9-13/h4-5,7,13H,6,8-9H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyVMZFJZFZKRBVEZ-ZDUSSCGKSA-N
XLogP2.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72901030
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72882003
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
7-methoxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931988
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(3S)-7-methoxy-N-[(1-methylindazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99783459
7-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49195308
(3S)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97281473
7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72885940
(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97124753
(3R)-7-methoxy-N-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279476

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 97123548) is (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OC[C@@H](C(=O)NCc1nc(C)c(C)s1)C2.
What is the InChIKey of (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is VMZFJZFZKRBVEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-10-11(2)23-16(19-10)8-18-17(20)13-6-12-4-5-14(21-3)7-15(12)22-9-13/h4-5,7,13H,6,8-9H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97123548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).