2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine

C11H20N2S — CID 112644062

IUPAC2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCCCNCC(C)(C)Cc1cncs1
InChIInChI=1S/C11H20N2S/c1-4-5-12-8-11(2,3)6-10-7-13-9-14-10/h7,9,12H,4-6,8H2,1-3H3
InChIKeyZTPXBKOEVUKIQA-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.71
Rot. Bonds6

About 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine

2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 112644062) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID112644062
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCCCNCC(C)(C)Cc1cncs1
InChIInChI=1S/C11H20N2S/c1-4-5-12-8-11(2,3)6-10-7-13-9-14-10/h7,9,12H,4-6,8H2,1-3H3
InChIKeyZTPXBKOEVUKIQA-UHFFFAOYSA-N
XLogP2.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644065
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645570
2-ethyl-N-(2-methoxyethyl)-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644117
N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644277
2-methyl-N-(2-methylpropyl)-2-(1,3-thiazol-5-ylmethyl)pentan-1-amine
CID 112644099
3-methyl-N-propyl-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645545
5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine
CID 106141056
1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112645209
2-methyl-1-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 65108079
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008
2-ethoxy-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62759622

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine (CID 112644062) is 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine is CCCNCC(C)(C)Cc1cncs1.
What is the InChIKey of 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is ZTPXBKOEVUKIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-5-12-8-11(2,3)6-10-7-13-9-14-10/h7,9,12H,4-6,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine?
2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 212.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 112644062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).