N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine

C13H12N4S — CID 55214545

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine
SMILESCc1nc(CNc2cnnc3ccccc23)cs1
InChIInChI=1S/C13H12N4S/c1-9-16-10(8-18-9)6-14-13-7-15-17-12-5-3-2-4-11(12)13/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyYMTNINRHBVSGJB-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.01
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine (PubChem CID 55214545) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine
PubChem CID55214545
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine
SMILESCc1nc(CNc2cnnc3ccccc23)cs1
InChIInChI=1S/C13H12N4S/c1-9-16-10(8-18-9)6-14-13-7-15-17-12-5-3-2-4-11(12)13/h2-5,7-8H,6H2,1H3,(H,14,17)
InChIKeyYMTNINRHBVSGJB-UHFFFAOYSA-N
XLogP3.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinoline-2-carboxylic acid
CID 63377198
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile
CID 64900052
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 47292925
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
CID 63587706
N-[(4-chlorophenyl)methyl]cinnolin-4-amine
CID 63586924
N-[(4-bromophenyl)methyl]cinnolin-4-amine
CID 55213389

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine (CID 55214545) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine is Cc1nc(CNc2cnnc3ccccc23)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine?
The InChIKey is YMTNINRHBVSGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9-16-10(8-18-9)6-14-13-7-15-17-12-5-3-2-4-11(12)13/h2-5,7-8H,6H2,1H3,(H,14,17).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine has a molecular weight of 256.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]cinnolin-4-amine is sourced from PubChem (CID 55214545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).