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

C12H18N2S — CID 116969391

IUPAC[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine
SMILESNCC1(Cc2nc(C3CCC3)cs2)CC1
InChIInChI=1S/C12H18N2S/c13-8-12(4-5-12)6-11-14-10(7-15-11)9-2-1-3-9/h7,9H,1-6,8,13H2
InChIKeyITNIHISVHDDDDI-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.69
Rot. Bonds4

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

[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine (PubChem CID 116969391) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is [1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine
PubChem CID116969391
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine
SMILESNCC1(Cc2nc(C3CCC3)cs2)CC1
InChIInChI=1S/C12H18N2S/c13-8-12(4-5-12)6-11-14-10(7-15-11)9-2-1-3-9/h7,9H,1-6,8,13H2
InChIKeyITNIHISVHDDDDI-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
CID 116968630
[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
CID 116969441
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanol
CID 116969358
[1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]cyclopropyl]methanamine
CID 116969377
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-(4-cyclohexyl-1,3-thiazol-2-yl)ethanethioamide
CID 116868749
[1-[[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]methyl]cyclobutyl]methanol
CID 116969491
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
4-cyclobutyl-1,3-thiazole-2-carboxamide
CID 116967982

Frequently Asked Questions

What is the IUPAC name of [1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine (CID 116969391) is [1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine is NCC1(Cc2nc(C3CCC3)cs2)CC1.
What is the InChIKey of [1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine?
The InChIKey is ITNIHISVHDDDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-8-12(4-5-12)6-11-14-10(7-15-11)9-2-1-3-9/h7,9H,1-6,8,13H2.
What are the key properties of [1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine?
[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine has a molecular weight of 222.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine is sourced from PubChem (CID 116969391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).