N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C15H18N2OS2 — CID 97145690

IUPACN-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESC[C@@H](c1cncs1)N(C)C(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H18N2OS2/c1-10(14-8-16-9-19-14)17(2)15(18)13-7-11-5-3-4-6-12(11)20-13/h7-10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyLMWNCNLDVXSKRV-JTQLQIEISA-N
MW306.46 g/mol
LogP3.92
Rot. Bonds3

About N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 97145690) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID97145690
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESC[C@@H](c1cncs1)N(C)C(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H18N2OS2/c1-10(14-8-16-9-19-14)17(2)15(18)13-7-11-5-3-4-6-12(11)20-13/h7-10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyLMWNCNLDVXSKRV-JTQLQIEISA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 78843956
N-(1-aminopropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119584997
N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 91760597
N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31744287
2-[propan-2-yl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 55029054
2-[cyclopropyl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]propanoic acid
CID 119203319
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
N-(6-methoxy-3-pyridinyl)-N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 48735497
N-[(2S)-2-hydroxypropyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 83030886
N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17249265
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 54992085
4-[propan-2-yl(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 60826411

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 97145690) is N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is C[C@@H](c1cncs1)N(C)C(=O)c1cc2c(s1)CCCC2.
What is the InChIKey of N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is LMWNCNLDVXSKRV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-10(14-8-16-9-19-14)17(2)15(18)13-7-11-5-3-4-6-12(11)20-13/h7-10H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 306.46 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-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 97145690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).