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

C10H17N3S — CID 61283014

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nc(CNC2CCNCC2)cs1
InChIInChI=1S/C10H17N3S/c1-8-13-10(7-14-8)6-12-9-2-4-11-5-3-9/h7,9,11-12H,2-6H2,1H3
InChIKeyUQLUBTBCSHSDMT-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.29
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (PubChem CID 61283014) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
PubChem CID61283014
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nc(CNC2CCNCC2)cs1
InChIInChI=1S/C10H17N3S/c1-8-13-10(7-14-8)6-12-9-2-4-11-5-3-9/h7,9,11-12H,2-6H2,1H3
InChIKeyUQLUBTBCSHSDMT-UHFFFAOYSA-N
XLogP1.29
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine (CID 61283014) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is Cc1nc(CNC2CCNCC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is UQLUBTBCSHSDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-13-10(7-14-8)6-12-9-2-4-11-5-3-9/h7,9,11-12H,2-6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 211.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 61283014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).