1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

C12H21N3S — CID 43556699

IUPAC1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCCCc1nc(CN2CCC(N)CC2)cs1
InChIInChI=1S/C12H21N3S/c1-2-3-12-14-11(9-16-12)8-15-6-4-10(13)5-7-15/h9-10H,2-8,13H2,1H3
InChIKeySLIIXCNMCXMIMK-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.02
Rot. Bonds4

About 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine

1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (PubChem CID 43556699) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
PubChem CID43556699
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCCCc1nc(CN2CCC(N)CC2)cs1
InChIInChI=1S/C12H21N3S/c1-2-3-12-14-11(9-16-12)8-15-6-4-10(13)5-7-15/h9-10H,2-8,13H2,1H3
InChIKeySLIIXCNMCXMIMK-UHFFFAOYSA-N
XLogP2.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120558523
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 63848766
5-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79994218
N,N-diethyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 86870585
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628440
4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-propyl-1,3-thiazole
CID 63874067
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63849685

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (CID 43556699) is 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is CCCc1nc(CN2CCC(N)CC2)cs1.
What is the InChIKey of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is SLIIXCNMCXMIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-3-12-14-11(9-16-12)8-15-6-4-10(13)5-7-15/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 43556699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).