1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile

C8H8ClN3S — CID 130616981

IUPAC1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CNc2csc(Cl)n2)CC1
InChIInChI=1S/C8H8ClN3S/c9-7-12-6(3-13-7)11-5-8(4-10)1-2-8/h3,11H,1-2,5H2
InChIKeyUMVYXWRHJNAQEC-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.51
Rot. Bonds3

About 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile

1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 130616981) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID130616981
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CNc2csc(Cl)n2)CC1
InChIInChI=1S/C8H8ClN3S/c9-7-12-6(3-13-7)11-5-8(4-10)1-2-8/h3,11H,1-2,5H2
InChIKeyUMVYXWRHJNAQEC-UHFFFAOYSA-N
XLogP2.51
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile (CID 130616981) is 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile is N#CC1(CNc2csc(Cl)n2)CC1.
What is the InChIKey of 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is UMVYXWRHJNAQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c9-7-12-6(3-13-7)11-5-8(4-10)1-2-8/h3,11H,1-2,5H2.
What are the key properties of 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 213.69 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-chloro-1,3-thiazol-4-yl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130616981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).