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

C18H22N2O2S — CID 97125096

IUPACN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1nc([C@H](C)N(C)C(=O)c2ccc3c(c2)CCCO3)c(C)s1
InChIInChI=1S/C18H22N2O2S/c1-11(17-12(2)23-13(3)19-17)20(4)18(21)15-7-8-16-14(10-15)6-5-9-22-16/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m0/s1
InChIKeyHDPNRWMIVAWXEO-NSHDSACASA-N
MW330.45 g/mol
LogP3.92
Rot. Bonds3

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

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 97125096) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID97125096
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCc1nc([C@H](C)N(C)C(=O)c2ccc3c(c2)CCCO3)c(C)s1
InChIInChI=1S/C18H22N2O2S/c1-11(17-12(2)23-13(3)19-17)20(4)18(21)15-7-8-16-14(10-15)6-5-9-22-16/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m0/s1
InChIKeyHDPNRWMIVAWXEO-NSHDSACASA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
CID 96575331
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
3-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-3-oxopropanoic acid
CID 116918231
4-(3,4-dihydro-2H-chromen-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500042
N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693378
2,2-dichloro-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 116827170
3-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918114
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 131913448
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,2-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 125174729
N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693409
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
3,4-dihydro-2H-chromen-6-yl-(3-methylphenyl)methanone
CID 54908650

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 97125096) is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide is Cc1nc([C@H](C)N(C)C(=O)c2ccc3c(c2)CCCO3)c(C)s1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is HDPNRWMIVAWXEO-NSHDSACASA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-11(17-12(2)23-13(3)19-17)20(4)18(21)15-7-8-16-14(10-15)6-5-9-22-16/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 97125096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).