1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine

C14H24N2S — CID 64918893

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCCC(NC)(c1nc(C(C)(C)C)cs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-6-14(15-5,10-7-8-10)12-16-11(9-17-12)13(2,3)4/h9-10,15H,6-8H2,1-5H3
InChIKeyXLRIDPZUMBKIOT-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine (PubChem CID 64918893) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
PubChem CID64918893
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCCC(NC)(c1nc(C(C)(C)C)cs1)C1CC1
InChIInChI=1S/C14H24N2S/c1-6-14(15-5,10-7-8-10)12-16-11(9-17-12)13(2,3)4/h9-10,15H,6-8H2,1-5H3
InChIKeyXLRIDPZUMBKIOT-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 64918687
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine
CID 62634123
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine
CID 61332734
3-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclopropyl-N,2-dimethylpropan-1-amine
CID 83149488
1-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-1-amine
CID 64917236
4-(4-tert-butyl-1,3-thiazol-2-yl)-N,2,6-trimethylheptan-4-amine
CID 114868550
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine
CID 80558537
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine
CID 63405268
2-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylpentan-2-amine
CID 61332465
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylpropan-2-amine
CID 114832562
3-tert-butyl-5-[5-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dimethylhexan-2-yl]-1,2-thiazole
CID 139317576

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine (CID 64918893) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine is CCC(NC)(c1nc(C(C)(C)C)cs1)C1CC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is XLRIDPZUMBKIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-6-14(15-5,10-7-8-10)12-16-11(9-17-12)13(2,3)4/h9-10,15H,6-8H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 64918893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).