N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide

C19H13N5O2S — CID 118400857

IUPACN-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C19H13N5O2S/c1-11-9-27-19(23-11)24-18(26)15-6-13(5-12-3-2-4-22-16(12)15)17(25)14-7-20-10-21-8-14/h2-10H,1H3,(H,23,24,26)
InChIKeyBSIXIFUAKHHHPI-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.27
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide (PubChem CID 118400857) has the molecular formula C19H13N5O2S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
PubChem CID118400857
Molecular FormulaC19H13N5O2S
Molecular Weight375.41 g/mol
Exact Mass375.08
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1
InChIInChI=1S/C19H13N5O2S/c1-11-9-27-19(23-11)24-18(26)15-6-13(5-12-3-2-4-22-16(12)15)17(25)14-7-20-10-21-8-14/h2-10H,1H3,(H,23,24,26)
InChIKeyBSIXIFUAKHHHPI-UHFFFAOYSA-N
XLogP3.27
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide (CID 118400857) is N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide is Cc1csc(NC(=O)c2cc(C(=O)c3cncnc3)cc3cccnc23)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
The InChIKey is BSIXIFUAKHHHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2S/c1-11-9-27-19(23-11)24-18(26)15-6-13(5-12-3-2-4-22-16(12)15)17(25)14-7-20-10-21-8-14/h2-10H,1H3,(H,23,24,26).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-6-(pyrimidine-5-carbonyl)quinoline-8-carboxamide is sourced from PubChem (CID 118400857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).