N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C16H18N2OS2 — CID 43060966

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)Nc3nc(C4CC4)cs3)cc2C1
InChIInChI=1S/C16H18N2OS2/c1-9-2-5-13-11(6-9)7-14(21-13)15(19)18-16-17-12(8-20-16)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18,19)
InChIKeyRZUUGNUHJQXCTN-UHFFFAOYSA-N
MW318.47 g/mol
LogP4.46
Rot. Bonds3

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 43060966) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID43060966
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC1CCc2sc(C(=O)Nc3nc(C4CC4)cs3)cc2C1
InChIInChI=1S/C16H18N2OS2/c1-9-2-5-13-11(6-9)7-14(21-13)15(19)18-16-17-12(8-20-16)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18,19)
InChIKeyRZUUGNUHJQXCTN-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 32863519
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 83093125
(5R)-N-(4-tert-butylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7914040
(5S)-N-(4-bromophenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7946283
5-methyl-N-(1H-1,2,4-triazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46594124
N-(2-amino-2-methylpropyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119626559
(5R)-5-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 40813465
(5R)-N-(2-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7750888
N,N-dimethyl-4-[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]pyridine-2-carboxamide
CID 95320788
(5S)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97156049
methyl (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7987070
N'-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]pyridine-4-carbohydrazide
CID 7678009

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 43060966) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC1CCc2sc(C(=O)Nc3nc(C4CC4)cs3)cc2C1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is RZUUGNUHJQXCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-9-2-5-13-11(6-9)7-14(21-13)15(19)18-16-17-12(8-20-16)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18,19).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 43060966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).