N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

C12H21N3S — CID 115752802

IUPACN-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCC(C)NC1CCN(Cc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-10(2)14-11-3-6-15(7-4-11)9-12-13-5-8-16-12/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3
InChIKeyCJWOEINOUMWLBT-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.11
Rot. Bonds4

About N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (PubChem CID 115752802) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
PubChem CID115752802
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCC(C)NC1CCN(Cc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-10(2)14-11-3-6-15(7-4-11)9-12-13-5-8-16-12/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3
InChIKeyCJWOEINOUMWLBT-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 115882623
(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 42199390
N-propan-2-yl-1-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 115882622
4-(azepan-1-yl)-N-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 66902865
N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine
CID 63242038
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073726
4-(1,3-thiazol-2-ylmethyl)-1,4-thiazepane
CID 84592058
2-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 64992990
N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine
CID 67429738

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (CID 115752802) is N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is CC(C)NC1CCN(Cc2nccs2)CC1.
What is the InChIKey of N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The InChIKey is CJWOEINOUMWLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(2)14-11-3-6-15(7-4-11)9-12-13-5-8-16-12/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 115752802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).