N-(thiophen-2-ylmethyl)cinnolin-4-amine

C13H11N3S — CID 63588069

IUPACN-(thiophen-2-ylmethyl)cinnolin-4-amine
SMILESc1csc(CNc2cnnc3ccccc23)c1
InChIInChI=1S/C13H11N3S/c1-2-6-12-11(5-1)13(9-15-16-12)14-8-10-4-3-7-17-10/h1-7,9H,8H2,(H,14,16)
InChIKeyCRSDPTQDSQOJDC-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.30
Rot. Bonds3

About N-(thiophen-2-ylmethyl)cinnolin-4-amine

N-(thiophen-2-ylmethyl)cinnolin-4-amine (PubChem CID 63588069) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)cinnolin-4-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)cinnolin-4-amine
PubChem CID63588069
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC NameN-(thiophen-2-ylmethyl)cinnolin-4-amine
SMILESc1csc(CNc2cnnc3ccccc23)c1
InChIInChI=1S/C13H11N3S/c1-2-6-12-11(5-1)13(9-15-16-12)14-8-10-4-3-7-17-10/h1-7,9H,8H2,(H,14,16)
InChIKeyCRSDPTQDSQOJDC-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
CID 63587706
N-[(4-chlorophenyl)methyl]cinnolin-4-amine
CID 63586924
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982
2-[(cinnolin-4-ylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66378744
N-(5,5,5-trifluoropentyl)cinnolin-4-amine
CID 115520682
4-[(cinnolin-4-ylamino)methyl]benzoic acid
CID 63587099
cinnolin-4-ylhydrazine
CID 39733519
N-methylcinnolin-4-amine
CID 6412705
methyl 3-(cinnolin-4-ylamino)propanoate
CID 63588842
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
3-(cinnolin-4-ylamino)-2-hydroxypropanamide
CID 114153484

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)cinnolin-4-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)cinnolin-4-amine (CID 63588069) is N-(thiophen-2-ylmethyl)cinnolin-4-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)cinnolin-4-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)cinnolin-4-amine is c1csc(CNc2cnnc3ccccc23)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)cinnolin-4-amine?
The InChIKey is CRSDPTQDSQOJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-6-12-11(5-1)13(9-15-16-12)14-8-10-4-3-7-17-10/h1-7,9H,8H2,(H,14,16).
What are the key properties of N-(thiophen-2-ylmethyl)cinnolin-4-amine?
N-(thiophen-2-ylmethyl)cinnolin-4-amine has a molecular weight of 241.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)cinnolin-4-amine is sourced from PubChem (CID 63588069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).