3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine

C12H22N2S — CID 116969697

IUPAC3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCC(C)c1csc(CC(CN)C(C)C)n1
InChIInChI=1S/C12H22N2S/c1-8(2)10(6-13)5-12-14-11(7-15-12)9(3)4/h7-10H,5-6,13H2,1-4H3
InChIKeyBMVQRCHUAYVMDV-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.04
Rot. Bonds5

About 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine

3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine (PubChem CID 116969697) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
PubChem CID116969697
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
SMILESCC(C)c1csc(CC(CN)C(C)C)n1
InChIInChI=1S/C12H22N2S/c1-8(2)10(6-13)5-12-14-11(7-15-12)9(3)4/h7-10H,5-6,13H2,1-4H3
InChIKeyBMVQRCHUAYVMDV-UHFFFAOYSA-N
XLogP3.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine
CID 116969696
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 83967573
2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
CID 43119799
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064
1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 82066849
2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)pentan-3-one
CID 70064429
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
[1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]cyclobutyl]methanamine
CID 116969441
3-methyl-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]butanoic acid
CID 116891257

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine (CID 116969697) is 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine is CC(C)c1csc(CC(CN)C(C)C)n1.
What is the InChIKey of 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine?
The InChIKey is BMVQRCHUAYVMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-8(2)10(6-13)5-12-14-11(7-15-12)9(3)4/h7-10H,5-6,13H2,1-4H3.
What are the key properties of 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine?
3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 116969697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).