cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine

C8H12N2S — CID 126971442

IUPACcyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(C(N)C2CC2)sn1
InChIInChI=1S/C8H12N2S/c1-5-4-7(11-10-5)8(9)6-2-3-6/h4,6,8H,2-3,9H2,1H3
InChIKeySFDKBQGTXQDYKE-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.86
Rot. Bonds2

About cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine

cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine (PubChem CID 126971442) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine
PubChem CID126971442
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Namecyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine
SMILESCc1cc(C(N)C2CC2)sn1
InChIInChI=1S/C8H12N2S/c1-5-4-7(11-10-5)8(9)6-2-3-6/h4,6,8H,2-3,9H2,1H3
InChIKeySFDKBQGTXQDYKE-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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Related Compounds

6-bicyclo[3.1.0]hexanyl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130639381
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclopentylmethanamine;hydrochloride
CID 171203283
(5-bromo-4-methylthiophen-2-yl)-cyclobutylmethanamine
CID 79996891
(R)-(5-bromo-4-methylthiophen-2-yl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314278
(3-methyl-1,2-thiazol-5-yl)-(thian-2-yl)methanol
CID 130735930
(R)-(5-bromo-4-methylthiophen-2-yl)-cyclohexylmethanamine
CID 171203284
cyclopentyl-(4,5-dimethylthiophen-2-yl)methanamine
CID 115778964
(3-methyl-1,2-thiazol-5-yl)-(1H-pyrazol-4-yl)methanamine
CID 131091311
(S)-(5-bromo-4-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 131603717
(R)-(4-chlorothiophen-2-yl)-cyclopropylmethanamine
CID 130664775
cyclopropyl(thiophen-2-yl)methanamine
CID 5015827
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine?
The IUPAC name of cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine (CID 126971442) is cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine?
The canonical SMILES for cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine is Cc1cc(C(N)C2CC2)sn1.
What is the InChIKey of cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine?
The InChIKey is SFDKBQGTXQDYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5-4-7(11-10-5)8(9)6-2-3-6/h4,6,8H,2-3,9H2,1H3.
What are the key properties of cyclopropyl-(3-methyl-1,2-thiazol-5-yl)methanamine?
cyclopropyl-(3-methyl-1,2-thiazol-5-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-(3-methyl-1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 126971442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).