N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C15H21N5S — CID 64540778

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCc1nc(C)c(CNC2CCCN(c3ncccn3)C2)s1
InChIInChI=1S/C15H21N5S/c1-11-14(21-12(2)19-11)9-18-13-5-3-8-20(10-13)15-16-6-4-7-17-15/h4,6-7,13,18H,3,5,8-10H2,1-2H3
InChIKeyANTULUBYNCFNOC-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.31
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 64540778) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID64540778
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESCc1nc(C)c(CNC2CCCN(c3ncccn3)C2)s1
InChIInChI=1S/C15H21N5S/c1-11-14(21-12(2)19-11)9-18-13-5-3-8-20(10-13)15-16-6-4-7-17-15/h4,6-7,13,18H,3,5,8-10H2,1-2H3
InChIKeyANTULUBYNCFNOC-UHFFFAOYSA-N
XLogP2.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 64540778) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is Cc1nc(C)c(CNC2CCCN(c3ncccn3)C2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is ANTULUBYNCFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-11-14(21-12(2)19-11)9-18-13-5-3-8-20(10-13)15-16-6-4-7-17-15/h4,6-7,13,18H,3,5,8-10H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 303.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 64540778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).