cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine

C8H12N2S — CID 46785177

IUPACcyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(N)C2CC2)n1
InChIInChI=1S/C8H12N2S/c1-5-4-11-8(10-5)7(9)6-2-3-6/h4,6-7H,2-3,9H2,1H3
InChIKeyPGQDIESBAMNFIY-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.86
Rot. Bonds2

About cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine

cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 46785177) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID46785177
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Namecyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1csc(C(N)C2CC2)n1
InChIInChI=1S/C8H12N2S/c1-5-4-11-8(10-5)7(9)6-2-3-6/h4,6-7H,2-3,9H2,1H3
InChIKeyPGQDIESBAMNFIY-UHFFFAOYSA-N
XLogP1.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine (CID 46785177) is cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine is Cc1csc(C(N)C2CC2)n1.
What is the InChIKey of cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is PGQDIESBAMNFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5-4-11-8(10-5)7(9)6-2-3-6/h4,6-7H,2-3,9H2,1H3.
What are the key properties of cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine?
cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 168.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 46785177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).