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

C13H22ClN3S — CID 104973667

IUPACN-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2ncc(Cl)s2)C1
InChIInChI=1S/C13H22ClN3S/c1-10(2)15-6-11-4-3-5-17(8-11)9-13-16-7-12(14)18-13/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyBUFFGKVCJVOGLT-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.01
Rot. Bonds5

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

N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 104973667) has the molecular formula C13H22ClN3S and a molecular weight of 287.86 g/mol. Its IUPAC name is N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID104973667
Molecular FormulaC13H22ClN3S
Molecular Weight287.86 g/mol
Exact Mass287.12
IUPAC NameN-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(Cc2ncc(Cl)s2)C1
InChIInChI=1S/C13H22ClN3S/c1-10(2)15-6-11-4-3-5-17(8-11)9-13-16-7-12(14)18-13/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyBUFFGKVCJVOGLT-UHFFFAOYSA-N
XLogP3.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 80606645
N-[[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241569
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 62580625
N-[[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241351
1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 104973704
N-[[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114937512
N-[[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 114849863
N-[[1-(1,2-oxazol-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241848
N-[[1-[(1-methyltriazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104869160
N-[[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 83089791
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine (CID 104973667) is N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(Cc2ncc(Cl)s2)C1.
What is the InChIKey of N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is BUFFGKVCJVOGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3S/c1-10(2)15-6-11-4-3-5-17(8-11)9-13-16-7-12(14)18-13/h7,10-11,15H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 287.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 104973667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).