4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide

C14H12N4OS — CID 63375458

IUPAC4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCc2nccs2)nc2ccccc12
InChIInChI=1S/C14H12N4OS/c15-10-7-12(18-11-4-2-1-3-9(10)11)14(19)17-8-13-16-5-6-20-13/h1-7H,8H2,(H2,15,18)(H,17,19)
InChIKeyUZMJYRIDCUKIIO-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.20
Rot. Bonds3

About 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide

4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide (PubChem CID 63375458) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
PubChem CID63375458
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide
SMILESNc1cc(C(=O)NCc2nccs2)nc2ccccc12
InChIInChI=1S/C14H12N4OS/c15-10-7-12(18-11-4-2-1-3-9(10)11)14(19)17-8-13-16-5-6-20-13/h1-7H,8H2,(H2,15,18)(H,17,19)
InChIKeyUZMJYRIDCUKIIO-UHFFFAOYSA-N
XLogP2.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoline-2-carboxamide
CID 63375237
2-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)quinoline-4-carboxamide
CID 62247287
4-amino-N-(1H-pyrrol-3-ylmethyl)quinoline-2-carboxamide
CID 106384946
4-amino-N-[(5-methylthiophen-2-yl)methyl]quinoline-2-carboxamide
CID 63375047
4-amino-N-(furan-3-ylmethyl)quinoline-2-carboxamide
CID 115751963
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-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
4-amino-N-[2-(1H-imidazol-2-yl)ethyl]quinoline-2-carboxamide
CID 115751977
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide (CID 63375458) is 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide is Nc1cc(C(=O)NCc2nccs2)nc2ccccc12.
What is the InChIKey of 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide?
The InChIKey is UZMJYRIDCUKIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-10-7-12(18-11-4-2-1-3-9(10)11)14(19)17-8-13-16-5-6-20-13/h1-7H,8H2,(H2,15,18)(H,17,19).
What are the key properties of 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide?
4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-thiazol-2-ylmethyl)quinoline-2-carboxamide is sourced from PubChem (CID 63375458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).