5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C12H22ClN3S — CID 120903499

IUPAC5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)C1CCCN(Cc2cnc(N)s2)C1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-9(2)10-4-3-5-15(7-10)8-11-6-14-12(13)16-11;/h6,9-10H,3-5,7-8H2,1-2H3,(H2,13,14);1H
InChIKeyQGELLDHPGJWQFW-UHFFFAOYSA-N
MW275.85 g/mol
LogP3.02
Rot. Bonds3

About 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120903499) has the molecular formula C12H22ClN3S and a molecular weight of 275.85 g/mol. Its IUPAC name is 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120903499
Molecular FormulaC12H22ClN3S
Molecular Weight275.85 g/mol
Exact Mass275.12
IUPAC Name5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)C1CCCN(Cc2cnc(N)s2)C1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-9(2)10-4-3-5-15(7-10)8-11-6-14-12(13)16-11;/h6,9-10H,3-5,7-8H2,1-2H3,(H2,13,14);1H
InChIKeyQGELLDHPGJWQFW-UHFFFAOYSA-N
XLogP3.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.85
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193
5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901379
5-[(3-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120905660
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
CID 120899494
[5-[(4-propan-2-ylazepan-1-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764401
5-[[3-(3,5-dimethoxyanilino)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120901310
5-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901768
5-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131944851
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572

Frequently Asked Questions

What is the IUPAC name of 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120903499) is 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)C1CCCN(Cc2cnc(N)s2)C1.Cl.
What is the InChIKey of 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is QGELLDHPGJWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S.ClH/c1-9(2)10-4-3-5-15(7-10)8-11-6-14-12(13)16-11;/h6,9-10H,3-5,7-8H2,1-2H3,(H2,13,14);1H.
What are the key properties of 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 275.85 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120903499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).