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

C9H14N2S — CID 82435899

IUPAC(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
SMILESCCc1nc(C2CC2)c(CN)s1
InChIInChI=1S/C9H14N2S/c1-2-8-11-9(6-3-4-6)7(5-10)12-8/h6H,2-5,10H2,1H3
InChIKeyKYWMKWJZAQSKMJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.04
Rot. Bonds3

About (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine

(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine (PubChem CID 82435899) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
PubChem CID82435899
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
SMILESCCc1nc(C2CC2)c(CN)s1
InChIInChI=1S/C9H14N2S/c1-2-8-11-9(6-3-4-6)7(5-10)12-8/h6H,2-5,10H2,1H3
InChIKeyKYWMKWJZAQSKMJ-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82436840
[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 114361967
5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 63916162
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436466
[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82437693
[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437914
[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 82437103
[4-cyclopropyl-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361819
5-(aminomethyl)-4-cyclopropyl-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 63915785
[4-cyclopropyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361924

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine (CID 82435899) is (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine is CCc1nc(C2CC2)c(CN)s1.
What is the InChIKey of (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is KYWMKWJZAQSKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-8-11-9(6-3-4-6)7(5-10)12-8/h6H,2-5,10H2,1H3.
What are the key properties of (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine?
(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 182.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 82435899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).