2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine

C12H22N2S — CID 116965203

IUPAC2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(C)Cc1csc(CC(C)(C)CN)n1
InChIInChI=1S/C12H22N2S/c1-9(2)5-10-7-15-11(14-10)6-12(3,4)8-13/h7,9H,5-6,8,13H2,1-4H3
InChIKeyYUNMJWRVWOUVTR-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.87
Rot. Bonds5

About 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine

2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 116965203) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID116965203
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(C)Cc1csc(CC(C)(C)CN)n1
InChIInChI=1S/C12H22N2S/c1-9(2)5-10-7-15-11(14-10)6-12(3,4)8-13/h7,9H,5-6,8,13H2,1-4H3
InChIKeyYUNMJWRVWOUVTR-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965082
3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butan-1-amine
CID 116969696
2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine
CID 116888476
methyl 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanoate
CID 116969019
4-(2,3-dimethylbutyl)-2-(2,2-dimethylpropyl)-1,3-thiazole
CID 170239016
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]ethanimidamide
CID 149175653
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
4-(2-methylpropyl)-2-undecyl-1,3-thiazole
CID 122184889
2,2-dimethyl-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965222
methyl 3-methyl-2-[[4-(2-methylpropyl)-1,3-thiazol-2-yl]methyl]butanoate
CID 116969733
2-methyl-2-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propanenitrile
CID 116865207

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine (CID 116965203) is 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine is CC(C)Cc1csc(CC(C)(C)CN)n1.
What is the InChIKey of 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is YUNMJWRVWOUVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9(2)5-10-7-15-11(14-10)6-12(3,4)8-13/h7,9H,5-6,8,13H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine?
2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 116965203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).