cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine

C9H14N2S — CID 83684010

IUPACcyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1C(N)C1CCC1
InChIInChI=1S/C9H14N2S/c1-6-9(12-5-11-6)8(10)7-3-2-4-7/h5,7-8H,2-4,10H2,1H3
InChIKeyCKMDJNSNIYPNOK-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.25
Rot. Bonds2

About cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine

cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 83684010) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID83684010
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Namecyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1C(N)C1CCC1
InChIInChI=1S/C9H14N2S/c1-6-9(12-5-11-6)8(10)7-3-2-4-7/h5,7-8H,2-4,10H2,1H3
InChIKeyCKMDJNSNIYPNOK-UHFFFAOYSA-N
XLogP2.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylcyclohexyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105155223
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105138914
cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
CID 83686035
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105090377
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
N-methyl-1-(4-methylcyclohexyl)-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105153878
cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83684011
1,1-di(cyclobutyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 114274461
(3-methylcyclopentyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 164650929
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine
CID 103405143
2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105168486

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 83684010) is cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncsc1C(N)C1CCC1.
What is the InChIKey of cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is CKMDJNSNIYPNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6-9(12-5-11-6)8(10)7-3-2-4-7/h5,7-8H,2-4,10H2,1H3.
What are the key properties of cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine?
cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 182.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 83684010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).