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

C18H22N2O3S — CID 72882003

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)C1COc2cc(OC)ccc2C1
InChIInChI=1S/C18H22N2O3S/c1-4-15-17(24-11(2)20-15)9-19-18(21)13-7-12-5-6-14(22-3)8-16(12)23-10-13/h5-6,8,13H,4,7,9-10H2,1-3H3,(H,19,21)
InChIKeyQEUOQFKXTWRRQV-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.89
Rot. Bonds5

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

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72882003) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72882003
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)C1COc2cc(OC)ccc2C1
InChIInChI=1S/C18H22N2O3S/c1-4-15-17(24-11(2)20-15)9-19-18(21)13-7-12-5-6-14(22-3)8-16(12)23-10-13/h5-6,8,13H,4,7,9-10H2,1-3H3,(H,19,21)
InChIKeyQEUOQFKXTWRRQV-UHFFFAOYSA-N
XLogP2.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97123548
(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
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72901030
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-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72931988
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823597
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 94823599
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 72882003) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is CCc1nc(C)sc1CNC(=O)C1COc2cc(OC)ccc2C1.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is QEUOQFKXTWRRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-15-17(24-11(2)20-15)9-19-18(21)13-7-12-5-6-14(22-3)8-16(12)23-10-13/h5-6,8,13H,4,7,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72882003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).