2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine

C11H20N2S — CID 116888476

IUPAC2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCCCc1nc(CC(C)(C)CN)cs1
InChIInChI=1S/C11H20N2S/c1-4-5-10-13-9(7-14-10)6-11(2,3)8-12/h7H,4-6,8,12H2,1-3H3
InChIKeySLQZDFZHSYXYTP-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.62
Rot. Bonds5

About 2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine

2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine (PubChem CID 116888476) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine
PubChem CID116888476
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCCCc1nc(CC(C)(C)CN)cs1
InChIInChI=1S/C11H20N2S/c1-4-5-10-13-9(7-14-10)6-11(2,3)8-12/h7H,4-6,8,12H2,1-3H3
InChIKeySLQZDFZHSYXYTP-UHFFFAOYSA-N
XLogP2.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
N',2,2-trimethyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 119928878
2,2-dimethyl-3-[4-(2-methylpropyl)-1,3-thiazol-2-yl]propan-1-amine
CID 116965203
2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 89272133
5-tert-butyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
CID 79542188
2-(2-propyl-1,3-thiazol-4-yl)acetonitrile
CID 62929491
ethane;2-(2-propyl-1,3-thiazol-4-yl)acetamide
CID 143669035
2-pentyl-4-propyl-1,3-thiazole
CID 55271530
4-(methylsulfonylmethyl)-2-propyl-1,3-thiazole
CID 137320865
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine (CID 116888476) is 2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine is CCCc1nc(CC(C)(C)CN)cs1.
What is the InChIKey of 2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is SLQZDFZHSYXYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-5-10-13-9(7-14-10)6-11(2,3)8-12/h7H,4-6,8,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine?
2,2-dimethyl-3-(2-propyl-1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.62, 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-(2-propyl-1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 116888476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).