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

C14H19N5S — CID 172881471

IUPACN-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCc1ncsc1CN1CCCC(Nc2ccncn2)C1
InChIInChI=1S/C14H19N5S/c1-11-13(20-10-17-11)8-19-6-2-3-12(7-19)18-14-4-5-15-9-16-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,15,16,18)
InChIKeyTVNDVOOHINRDLY-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.32
Rot. Bonds4

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

N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 172881471) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID172881471
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC NameN-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine
SMILESCc1ncsc1CN1CCCC(Nc2ccncn2)C1
InChIInChI=1S/C14H19N5S/c1-11-13(20-10-17-11)8-19-6-2-3-12(7-19)18-14-4-5-15-9-16-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,15,16,18)
InChIKeyTVNDVOOHINRDLY-UHFFFAOYSA-N
XLogP2.32
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine (CID 172881471) is N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine is Cc1ncsc1CN1CCCC(Nc2ccncn2)C1.
What is the InChIKey of N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is TVNDVOOHINRDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-11-13(20-10-17-11)8-19-6-2-3-12(7-19)18-14-4-5-15-9-16-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,15,16,18).
What are the key properties of N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine?
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 289.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172881471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).