N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C18H17N3O2S2 — CID 42208657

IUPACN-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)CCc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C18H17N3O2S2/c1-12-5-2-3-6-14(12)20-16(22)9-8-13-11-25-18(19-13)21-17(23)15-7-4-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyMNIZTRROHXYGKV-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.34
Rot. Bonds6

About N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 42208657) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID42208657
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC NameN-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)CCc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C18H17N3O2S2/c1-12-5-2-3-6-14(12)20-16(22)9-8-13-11-25-18(19-13)21-17(23)15-7-4-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H,19,21,23)
InChIKeyMNIZTRROHXYGKV-UHFFFAOYSA-N
XLogP4.34
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(3,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208685
N-[4-[3-(4-butylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208663
N-[4-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208698
N-[4-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208701
N-[4-[3-[2-(4-methoxyphenyl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208652
N-[4-[2-(2-anilinoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112771279
N-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208436
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 38035313
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3336196
N-[4-[2-oxo-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55514368
N-[4-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208438

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 42208657) is N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1ccccc1NC(=O)CCc1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is MNIZTRROHXYGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-12-5-2-3-6-14(12)20-16(22)9-8-13-11-25-18(19-13)21-17(23)15-7-4-10-24-15/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42208657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).