[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

C12H20N2S — CID 114362179

IUPAC[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(CC2CC2)sc1CN
InChIInChI=1S/C12H20N2S/c1-8(2)5-10-11(7-13)15-12(14-10)6-9-3-4-9/h8-9H,3-7,13H2,1-2H3
InChIKeyFBUXJECHTINJSB-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.75
Rot. Bonds5

About [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362179) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362179
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(CC2CC2)sc1CN
InChIInChI=1S/C12H20N2S/c1-8(2)5-10-11(7-13)15-12(14-10)6-9-3-4-9/h8-9H,3-7,13H2,1-2H3
InChIKeyFBUXJECHTINJSB-UHFFFAOYSA-N
XLogP2.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369734
[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362103
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362262
[4-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114361998
[2-[(2-bromophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362094
[4-(2-methylpropyl)-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362112
[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361262
2-(azetidin-3-ylmethyl)-5-methyl-4-(2-methylpropyl)-1,3-thiazole
CID 105482444
[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362062
[4-(2-methylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-5-yl]methanamine
CID 114362069
[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361502
N-[[2-(cyclopropylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841273

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362179) is [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CC(C)Cc1nc(CC2CC2)sc1CN.
What is the InChIKey of [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FBUXJECHTINJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8(2)5-10-11(7-13)15-12(14-10)6-9-3-4-9/h8-9H,3-7,13H2,1-2H3.
What are the key properties of [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).