1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide

C14H12N4OS — CID 106772963

IUPAC1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCc2cncs2)c2ccccc12
InChIInChI=1S/C14H12N4OS/c15-13-11-4-2-1-3-10(11)12(7-17-13)14(19)18-6-9-5-16-8-20-9/h1-5,7-8H,6H2,(H2,15,17)(H,18,19)
InChIKeyPUZJJUMLCYVQHA-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.20
Rot. Bonds3

About 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide

1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide (PubChem CID 106772963) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
PubChem CID106772963
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCc2cncs2)c2ccccc12
InChIInChI=1S/C14H12N4OS/c15-13-11-4-2-1-3-10(11)12(7-17-13)14(19)18-6-9-5-16-8-20-9/h1-5,7-8H,6H2,(H2,15,17)(H,18,19)
InChIKeyPUZJJUMLCYVQHA-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

1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
CID 106770448
1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106771195
3-hydroxy-N-(1,3-thiazol-5-ylmethyl)naphthalene-2-carboxamide
CID 104579431
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
1-amino-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinoline-4-carboxamide
CID 106771922
2-[(1-aminoisoquinoline-4-carbonyl)amino]ethyl carbamate
CID 106772640
2-amino-5-bromo-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 114194037
1-amino-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106772541
1-amino-N-(2-methylsulfanylpropyl)isoquinoline-4-carboxamide
CID 106772784
1-amino-N-(2-ethoxyethyl)isoquinoline-4-carboxamide
CID 106769712
N-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide (CID 106772963) is 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide is Nc1ncc(C(=O)NCc2cncs2)c2ccccc12.
What is the InChIKey of 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide?
The InChIKey is PUZJJUMLCYVQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c15-13-11-4-2-1-3-10(11)12(7-17-13)14(19)18-6-9-5-16-8-20-9/h1-5,7-8H,6H2,(H2,15,17)(H,18,19).
What are the key properties of 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide?
1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-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 1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106772963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).