[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

C16H29N3S — CID 62767664

IUPAC[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCC(C(C)(C)C)CC2)sc1CN
InChIInChI=1S/C16H29N3S/c1-5-6-13-14(11-17)20-15(18-13)19-9-7-12(8-10-19)16(2,3)4/h12H,5-11,17H2,1-4H3
InChIKeyKUOUHUSZNYZUKS-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.82
Rot. Bonds4

About [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine

[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 62767664) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID62767664
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2CCC(C(C)(C)C)CC2)sc1CN
InChIInChI=1S/C16H29N3S/c1-5-6-13-14(11-17)20-15(18-13)19-9-7-12(8-10-19)16(2,3)4/h12H,5-11,17H2,1-4H3
InChIKeyKUOUHUSZNYZUKS-UHFFFAOYSA-N
XLogP3.82
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 63514260
[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62765485
[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 63002607
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 104961227
2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889258
[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55215656
[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117427
[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778656
[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55117413
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 65322070
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 102728727

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine (CID 62767664) is [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(N2CCC(C(C)(C)C)CC2)sc1CN.
What is the InChIKey of [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is KUOUHUSZNYZUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-5-6-13-14(11-17)20-15(18-13)19-9-7-12(8-10-19)16(2,3)4/h12H,5-11,17H2,1-4H3.
What are the key properties of [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 295.50 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62767664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).