[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine

C12H20N2S2 — CID 114361967

IUPAC[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESCCC(C)SCc1nc(C2CC2)c(CN)s1
InChIInChI=1S/C12H20N2S2/c1-3-8(2)15-7-11-14-12(9-4-5-9)10(6-13)16-11/h8-9H,3-7,13H2,1-2H3
InChIKeyUSWRCHFFNRYHSH-UHFFFAOYSA-N
MW256.44 g/mol
LogP3.51
Rot. Bonds6

About [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine

[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361967) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
PubChem CID114361967
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
SMILESCCC(C)SCc1nc(C2CC2)c(CN)s1
InChIInChI=1S/C12H20N2S2/c1-3-8(2)15-7-11-14-12(9-4-5-9)10(6-13)16-11/h8-9H,3-7,13H2,1-2H3
InChIKeyUSWRCHFFNRYHSH-UHFFFAOYSA-N
XLogP3.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)methanamine
CID 82435899
[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82436840
[2-[(2-bromophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 114361816
N-[[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82436752
1-[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82436767
2-(butan-2-ylsulfanylmethyl)-6-cyclopropyl-5-iodopyrimidin-4-amine
CID 66301540
[4-cyclopropyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436143
5-(bromomethyl)-4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazole
CID 82436694
5-(aminomethyl)-4-cyclopropyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 63916162
5-(bromomethyl)-4-cyclopropyl-2-(propylsulfanylmethyl)-1,3-thiazole
CID 82436791
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436466
N-[[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82436687

Frequently Asked Questions

What is the IUPAC name of [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine (CID 114361967) is [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is CCC(C)SCc1nc(C2CC2)c(CN)s1.
What is the InChIKey of [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is USWRCHFFNRYHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-3-8(2)15-7-11-14-12(9-4-5-9)10(6-13)16-11/h8-9H,3-7,13H2,1-2H3.
What are the key properties of [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine?
[2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 256.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butan-2-ylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).