[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

C16H27N3S — CID 63917608

IUPAC[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1(CC)CCN(c2nc(C3CC3)c(CN)s2)CC1
InChIInChI=1S/C16H27N3S/c1-3-16(4-2)7-9-19(10-8-16)15-18-14(12-5-6-12)13(11-17)20-15/h12H,3-11,17H2,1-2H3
InChIKeyMNNVFFUKRPUCIX-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.89
Rot. Bonds5

About [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63917608) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63917608
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC1(CC)CCN(c2nc(C3CC3)c(CN)s2)CC1
InChIInChI=1S/C16H27N3S/c1-3-16(4-2)7-9-19(10-8-16)15-18-14(12-5-6-12)13(11-17)20-15/h12H,3-11,17H2,1-2H3
InChIKeyMNNVFFUKRPUCIX-UHFFFAOYSA-N
XLogP3.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 63918102
[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63161163
[4-cyclopropyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 63916433
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 63915854
[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 103540374
[4-cyclopropyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 66370249
[4-cyclopropyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916249
[4-cyclopropyl-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916547
[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916747
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63918188
[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 62930158
[4-cyclopropyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63915599

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 63917608) is [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCC1(CC)CCN(c2nc(C3CC3)c(CN)s2)CC1.
What is the InChIKey of [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is MNNVFFUKRPUCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-16(4-2)7-9-19(10-8-16)15-18-14(12-5-6-12)13(11-17)20-15/h12H,3-11,17H2,1-2H3.
What are the key properties of [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 293.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63917608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).