N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide

C18H16ClN3O2S2 — CID 1172185

IUPACN-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H16ClN3O2S2/c1-2-22(17(24)15-4-3-9-25-15)18-21-14(11-26-18)10-16(23)20-13-7-5-12(19)6-8-13/h3-9,11H,2,10H2,1H3,(H,20,23)
InChIKeyQRAUBEQPCOMARH-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.71
Rot. Bonds6

About N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide

N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide (PubChem CID 1172185) has the molecular formula C18H16ClN3O2S2 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide
PubChem CID1172185
Molecular FormulaC18H16ClN3O2S2
Molecular Weight405.93 g/mol
Exact Mass405.04
IUPAC NameN-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H16ClN3O2S2/c1-2-22(17(24)15-4-3-9-25-15)18-21-14(11-26-18)10-16(23)20-13-7-5-12(19)6-8-13/h3-9,11H,2,10H2,1H3,(H,20,23)
InChIKeyQRAUBEQPCOMARH-UHFFFAOYSA-N
XLogP4.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]thiophene-2-carboxamide
CID 3730189
N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3186572
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-phenylacetamide
CID 16899303
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 43244296
N-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229313

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide (CID 1172185) is N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide is CCN(C(=O)c1cccs1)c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide?
The InChIKey is QRAUBEQPCOMARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S2/c1-2-22(17(24)15-4-3-9-25-15)18-21-14(11-26-18)10-16(23)20-13-7-5-12(19)6-8-13/h3-9,11H,2,10H2,1H3,(H,20,23).
What are the key properties of N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide?
N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 1172185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).