N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide

C16H14N6OS — CID 75462810

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2=NCCS2)nnn1-c1cccc2ncccc12
InChIInChI=1S/C16H14N6OS/c1-10-14(15(23)19-16-18-8-9-24-16)20-21-22(10)13-6-2-5-12-11(13)4-3-7-17-12/h2-7H,8-9H2,1H3,(H,18,19,23)
InChIKeyBERMIMPSDKKIJB-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.96
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide (PubChem CID 75462810) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
PubChem CID75462810
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2=NCCS2)nnn1-c1cccc2ncccc12
InChIInChI=1S/C16H14N6OS/c1-10-14(15(23)19-16-18-8-9-24-16)20-21-22(10)13-6-2-5-12-11(13)4-3-7-17-12/h2-7H,8-9H2,1H3,(H,18,19,23)
InChIKeyBERMIMPSDKKIJB-UHFFFAOYSA-N
XLogP1.96
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide (CID 75462810) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide is Cc1c(C(=O)NC2=NCCS2)nnn1-c1cccc2ncccc12.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide?
The InChIKey is BERMIMPSDKKIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-10-14(15(23)19-16-18-8-9-24-16)20-21-22(10)13-6-2-5-12-11(13)4-3-7-17-12/h2-7H,8-9H2,1H3,(H,18,19,23).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1-quinolin-5-yltriazole-4-carboxamide is sourced from PubChem (CID 75462810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).