N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide

C16H21N3O2S2 — CID 5098798

IUPACN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1nc(NC(=O)CN(CC(C)C)C(=O)c2cccs2)sc1C
InChIInChI=1S/C16H21N3O2S2/c1-10(2)8-19(15(21)13-6-5-7-22-13)9-14(20)18-16-17-11(3)12(4)23-16/h5-7,10H,8-9H2,1-4H3,(H,17,18,20)
InChIKeyDCXBLVHKFKDEIR-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.56
Rot. Bonds6

About N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 5098798) has the molecular formula C16H21N3O2S2 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID5098798
Molecular FormulaC16H21N3O2S2
Molecular Weight351.50 g/mol
Exact Mass351.11
IUPAC NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCc1nc(NC(=O)CN(CC(C)C)C(=O)c2cccs2)sc1C
InChIInChI=1S/C16H21N3O2S2/c1-10(2)8-19(15(21)13-6-5-7-22-13)9-14(20)18-16-17-11(3)12(4)23-16/h5-7,10H,8-9H2,1-4H3,(H,17,18,20)
InChIKeyDCXBLVHKFKDEIR-UHFFFAOYSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42736722
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 1056433
N-[(2S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 41322464
N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 7201799
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245
3-bromo-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3495587
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42734676
3,4-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 5198515
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 60643349
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-prop-2-enylamino]acetamide
CID 42768503
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-thiophen-2-ylurea
CID 110706893
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide (CID 5098798) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide is Cc1nc(NC(=O)CN(CC(C)C)C(=O)c2cccs2)sc1C.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is DCXBLVHKFKDEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S2/c1-10(2)8-19(15(21)13-6-5-7-22-13)9-14(20)18-16-17-11(3)12(4)23-16/h5-7,10H,8-9H2,1-4H3,(H,17,18,20).
What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 351.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 5098798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).