N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide

C16H19N3O2S2 — CID 17250058

IUPACN,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc3c(s2)CCCC3)sc1C(=O)N(C)C
InChIInChI=1S/C16H19N3O2S2/c1-9-13(15(21)19(2)3)23-16(17-9)18-14(20)12-8-10-6-4-5-7-11(10)22-12/h8H,4-7H2,1-3H3,(H,17,18,20)
InChIKeyZKWQRCAFHGQMQO-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.35
Rot. Bonds3

About N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide (PubChem CID 17250058) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide
PubChem CID17250058
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC NameN,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc3c(s2)CCCC3)sc1C(=O)N(C)C
InChIInChI=1S/C16H19N3O2S2/c1-9-13(15(21)19(2)3)23-16(17-9)18-14(20)12-8-10-6-4-5-7-11(10)22-12/h8H,4-7H2,1-3H3,(H,17,18,20)
InChIKeyZKWQRCAFHGQMQO-UHFFFAOYSA-N
XLogP3.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2679162
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112807865
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
N-[3-(dimethylcarbamoyl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 32626824
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 142147683
N,N,4-trimethyl-2-[[5-[(2S)-pyrrolidin-2-yl]thiophene-2-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 31044771
N-(4-methyl-1H-pyrazol-5-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 115629881
N-(6-chloro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7942510
N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17249265
2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7915380
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 86976942

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide (CID 17250058) is N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2cc3c(s2)CCCC3)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ZKWQRCAFHGQMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-9-13(15(21)19(2)3)23-16(17-9)18-14(20)12-8-10-6-4-5-7-11(10)22-12/h8H,4-7H2,1-3H3,(H,17,18,20).
What are the key properties of N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17250058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).