(3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C18H22N2O3S — CID 97132314

IUPAC(3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)N(C)CCc1scnc1C)CO2
InChIInChI=1S/C18H22N2O3S/c1-12-17(24-11-19-12)6-7-20(2)18(21)14-8-13-9-15(22-3)4-5-16(13)23-10-14/h4-5,9,11,14H,6-8,10H2,1-3H3/t14-/m0/s1
InChIKeyYTCBOCAOOKHTGY-AWEZNQCLSA-N
MW346.45 g/mol
LogP2.71
Rot. Bonds5

About (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97132314) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97132314
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)N(C)CCc1scnc1C)CO2
InChIInChI=1S/C18H22N2O3S/c1-12-17(24-11-19-12)6-7-20(2)18(21)14-8-13-9-15(22-3)4-5-16(13)23-10-14/h4-5,9,11,14H,6-8,10H2,1-3H3/t14-/m0/s1
InChIKeyYTCBOCAOOKHTGY-AWEZNQCLSA-N
XLogP2.71
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97132314) is (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)C[C@H](C(=O)N(C)CCc1scnc1C)CO2.
What is the InChIKey of (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is YTCBOCAOOKHTGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-17(24-11-19-12)6-7-20(2)18(21)14-8-13-9-15(22-3)4-5-16(13)23-10-14/h4-5,9,11,14H,6-8,10H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97132314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).