1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine

C13H20ClN3S — CID 104973803

IUPAC1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
SMILESClc1cnc(CN2CCC(NCC3CC3)CC2)s1
InChIInChI=1S/C13H20ClN3S/c14-12-8-16-13(18-12)9-17-5-3-11(4-6-17)15-7-10-1-2-10/h8,10-11,15H,1-7,9H2
InChIKeyZTHVTTRKQFEJDF-UHFFFAOYSA-N
MW285.84 g/mol
LogP2.76
Rot. Bonds5

About 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine

1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 104973803) has the molecular formula C13H20ClN3S and a molecular weight of 285.84 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
PubChem CID104973803
Molecular FormulaC13H20ClN3S
Molecular Weight285.84 g/mol
Exact Mass285.11
IUPAC Name1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
SMILESClc1cnc(CN2CCC(NCC3CC3)CC2)s1
InChIInChI=1S/C13H20ClN3S/c14-12-8-16-13(18-12)9-17-5-3-11(4-6-17)15-7-10-1-2-10/h8,10-11,15H,1-7,9H2
InChIKeyZTHVTTRKQFEJDF-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-4-yl]ethanamine
CID 107124504
1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 120841434
1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 104973704
N-(cyclopropylmethyl)-1-[(3,5-dichlorophenyl)methyl]piperidin-4-amine
CID 115306881
N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 78924569
N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120841624
N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
CID 106994959
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104973667
N-(cyclopropylmethyl)-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841666
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386
N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine
CID 114937568

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The IUPAC name of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine (CID 104973803) is 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The canonical SMILES for 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine is Clc1cnc(CN2CCC(NCC3CC3)CC2)s1.
What is the InChIKey of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
The InChIKey is ZTHVTTRKQFEJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3S/c14-12-8-16-13(18-12)9-17-5-3-11(4-6-17)15-7-10-1-2-10/h8,10-11,15H,1-7,9H2.
What are the key properties of 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine?
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 285.84 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 104973803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).