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

C12H22N2S — CID 112644065

IUPACN-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCC(C)(CNC(C)(C)C)Cc1cncs1
InChIInChI=1S/C12H22N2S/c1-11(2,3)14-8-12(4,5)6-10-7-13-9-15-10/h7,9,14H,6,8H2,1-5H3
InChIKeyLELSAUJUSKDHNV-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.10
Rot. Bonds4

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

N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 112644065) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID112644065
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCC(C)(CNC(C)(C)C)Cc1cncs1
InChIInChI=1S/C12H22N2S/c1-11(2,3)14-8-12(4,5)6-10-7-13-9-15-10/h7,9,14H,6,8H2,1-5H3
InChIKeyLELSAUJUSKDHNV-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112645209
2,2-dimethyl-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644062
3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645570
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
N-ethyl-2,3-dimethyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112644277
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 112645383
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 112644082
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
2-methyl-1-phenyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112641801
3-methyl-3-(1,3-thiazol-5-ylmethylamino)butan-2-ol
CID 115866557
5-chloro-2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)pentan-1-amine
CID 106141056
1,1-dimethoxy-2-methyl-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642005

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine (CID 112644065) is N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine is CC(C)(CNC(C)(C)C)Cc1cncs1.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is LELSAUJUSKDHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-11(2,3)14-8-12(4,5)6-10-7-13-9-15-10/h7,9,14H,6,8H2,1-5H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine?
N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 226.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 112644065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).