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

C9H14N2S — CID 83684011

IUPACcyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)C2CCC2)cs1
InChIInChI=1S/C9H14N2S/c1-6-11-8(5-12-6)9(10)7-3-2-4-7/h5,7,9H,2-4,10H2,1H3
InChIKeyHZWYDIKTKBLSGM-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.25
Rot. Bonds2

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

cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 83684011) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID83684011
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Namecyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(C(N)C2CCC2)cs1
InChIInChI=1S/C9H14N2S/c1-6-11-8(5-12-6)9(10)7-3-2-4-7/h5,7,9H,2-4,10H2,1H3
InChIKeyHZWYDIKTKBLSGM-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

(3-methylsulfonylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105168772
(3,4-dimethylcyclohexyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105154535
cyclobutyl-(4,6-dimethyl-2-pyridinyl)methanamine
CID 130506033
N-(cyclobutylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670306
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105156041
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429
(1R,2S)-1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 124505318
(4-chloro-6-methyl-2-pyridinyl)-cyclobutylmethanamine
CID 162341237
2-cyclohexyl-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105135487
1-amino-1-(2-methyl-1,3-thiazol-4-yl)propan-2-ol;dihydrochloride
CID 122156676
cyclobutyl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 83684010
(2-methyl-1,3-thiazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 130979013

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 83684011) is cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(C(N)C2CCC2)cs1.
What is the InChIKey of cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is HZWYDIKTKBLSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-6-11-8(5-12-6)9(10)7-3-2-4-7/h5,7,9H,2-4,10H2,1H3.
What are the key properties of cyclobutyl-(2-methyl-1,3-thiazol-4-yl)methanamine?
cyclobutyl-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 83684011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).