3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine

C18H26N2S — CID 81022146

IUPAC3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H26N2S/c1-14(2)19-11-10-18(3,4)12-17-20-16(13-21-17)15-8-6-5-7-9-15/h5-9,13-14,19H,10-12H2,1-4H3
InChIKeyNHMGATUDUQHCTO-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.77
Rot. Bonds7

About 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine

3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine (PubChem CID 81022146) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
PubChem CID81022146
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H26N2S/c1-14(2)19-11-10-18(3,4)12-17-20-16(13-21-17)15-8-6-5-7-9-15/h5-9,13-14,19H,10-12H2,1-4H3
InChIKeyNHMGATUDUQHCTO-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
2,3-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820016
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 82103288
3,3-dimethyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116968292
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 78998236
N-tert-butyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816774
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
N,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81012409
N-(2-methylpropyl)-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 79816985
2-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hex-5-en-2-ol
CID 104656167

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine (CID 81022146) is 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine?
The InChIKey is NHMGATUDUQHCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-14(2)19-11-10-18(3,4)12-17-20-16(13-21-17)15-8-6-5-7-9-15/h5-9,13-14,19H,10-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine?
3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81022146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).