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

C20H24N2O2S — CID 97327486

IUPACN-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H24N2O2S/c1-12(2)19-21-13(3)18(25-19)14(4)22(5)20(23)16-10-15-8-6-7-9-17(15)24-11-16/h6-10,12,14H,11H2,1-5H3/t14-/m0/s1
InChIKeyTWUOGTMCIXQQSL-AWEZNQCLSA-N
MW356.49 g/mol
LogP4.57
Rot. Bonds4

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

N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 97327486) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide
PubChem CID97327486
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H24N2O2S/c1-12(2)19-21-13(3)18(25-19)14(4)22(5)20(23)16-10-15-8-6-7-9-17(15)24-11-16/h6-10,12,14H,11H2,1-5H3/t14-/m0/s1
InChIKeyTWUOGTMCIXQQSL-AWEZNQCLSA-N
XLogP4.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-2-oxo-2H-chromene-3-carboxamide
CID 7518177
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 56792077
(2-Methoxyphenyl)-[4-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 84584387
[2-Methyl-6-(2-phenoxyethyl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 89739624
1-(2-ethoxybenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-piperidinecarboxamide
CID 20974818
(2,4-dimethyl-1,3-thiazol-5-yl)-[7-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 45167038
N-methyl-N-propan-2-yl-2-(2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46068230
1-[(2-Isopropyl-4-methyl-1,3-thiazol-5-yl)carbonyl]-3-[(3-methylphenoxy)methyl]piperidine
CID 72845323
[2-[[1-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 91913566
(2,4-Dimethyl-1,3-thiazol-5-yl)(3-{[2-(morpholinocarbonyl)phenoxy]methyl}piperidino)methanone
CID 91913568
4-(2,4-Dimethyl-1,3-thiazole-5-carbonyl)-1'-(propan-2-YL)-4,5-dihydro-3H-spiro[1,4-benzoxazepine-2,4'-piperidine]
CID 124072872
2-ethoxy-N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7503025

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide (CID 97327486) is N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide is Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is TWUOGTMCIXQQSL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-12(2)19-21-13(3)18(25-19)14(4)22(5)20(23)16-10-15-8-6-7-9-17(15)24-11-16/h6-10,12,14H,11H2,1-5H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide?
N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 97327486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).