N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine

C17H23N5S — CID 44591284

IUPACN-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESc1cc(C2CCCN(CCc3cscn3)C2)nc(NC2CC2)n1
InChIInChI=1S/C17H23N5S/c1-2-13(10-22(8-1)9-6-15-11-23-12-19-15)16-5-7-18-17(21-16)20-14-3-4-14/h5,7,11-14H,1-4,6,8-10H2,(H,18,20,21)
InChIKeyZRHOSQWFAXTIKQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.93
Rot. Bonds6

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

N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 44591284) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID44591284
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC NameN-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
SMILESc1cc(C2CCCN(CCc3cscn3)C2)nc(NC2CC2)n1
InChIInChI=1S/C17H23N5S/c1-2-13(10-22(8-1)9-6-15-11-23-12-19-15)16-5-7-18-17(21-16)20-14-3-4-14/h5,7,11-14H,1-4,6,8-10H2,(H,18,20,21)
InChIKeyZRHOSQWFAXTIKQ-UHFFFAOYSA-N
XLogP2.93
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine (CID 44591284) is N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is c1cc(C2CCCN(CCc3cscn3)C2)nc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is ZRHOSQWFAXTIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-2-13(10-22(8-1)9-6-15-11-23-12-19-15)16-5-7-18-17(21-16)20-14-3-4-14/h5,7,11-14H,1-4,6,8-10H2,(H,18,20,21).
What are the key properties of N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 329.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 44591284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).