4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide

C15H14N4OS — CID 63375237

IUPAC4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C15H14N4OS/c1-9-14(21-8-18-9)7-17-15(20)13-6-11(16)10-4-2-3-5-12(10)19-13/h2-6,8H,7H2,1H3,(H2,16,19)(H,17,20)
InChIKeyFHQRHEPEIKWDCU-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.51
Rot. Bonds3

About 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide

4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide (PubChem CID 63375237) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
PubChem CID63375237
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
SMILESCc1ncsc1CNC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C15H14N4OS/c1-9-14(21-8-18-9)7-17-15(20)13-6-11(16)10-4-2-3-5-12(10)19-13/h2-6,8H,7H2,1H3,(H2,16,19)(H,17,20)
InChIKeyFHQRHEPEIKWDCU-UHFFFAOYSA-N
XLogP2.51
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
CID 63375458
4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 63375047
4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
CID 106384946
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)quinoline-2-carboxamide
CID 115751996
4-amino-N-(furan-3-ylmethyl)quinoline-2-carboxamide
CID 115751963
6-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 103875321
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
2-anilino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63281191

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide (CID 63375237) is 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide is Cc1ncsc1CNC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide?
The InChIKey is FHQRHEPEIKWDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-14(21-8-18-9)7-17-15(20)13-6-11(16)10-4-2-3-5-12(10)19-13/h2-6,8H,7H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide?
4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 63375237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).