N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide

C19H14N4OS2 — CID 2090181

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H14N4OS2/c24-17(21-19-23-22-18(26-19)11-7-8-11)13-10-15(16-6-3-9-25-16)20-14-5-2-1-4-12(13)14/h1-6,9-11H,7-8H2,(H,21,23,24)
InChIKeyLLMVOFAKRMXTDM-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.94
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 2090181) has the molecular formula C19H14N4OS2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID2090181
Molecular FormulaC19H14N4OS2
Molecular Weight378.48 g/mol
Exact Mass378.06
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H14N4OS2/c24-17(21-19-23-22-18(26-19)11-7-8-11)13-10-15(16-6-3-9-25-16)20-14-5-2-1-4-12(13)14/h1-6,9-11H,7-8H2,(H,21,23,24)
InChIKeyLLMVOFAKRMXTDM-UHFFFAOYSA-N
XLogP4.94
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2313908
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 71592345
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962
2-thiophen-2-yl-N-[2-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 18268811
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-phenylbenzamide
CID 4812441
2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865965
N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 55812409

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide (CID 2090181) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide is O=C(Nc1nnc(C2CC2)s1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is LLMVOFAKRMXTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS2/c24-17(21-19-23-22-18(26-19)11-7-8-11)13-10-15(16-6-3-9-25-16)20-14-5-2-1-4-12(13)14/h1-6,9-11H,7-8H2,(H,21,23,24).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2090181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).