N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine

C16H17N7S — CID 15979015

IUPACN-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESc1ncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)cn1
InChIInChI=1S/C16H17N7S/c1-2-20-15(7-13(1)23-5-3-17-4-6-23)22-16-21-10-14(24-16)12-8-18-11-19-9-12/h1-2,7-11,17H,3-6H2,(H,20,21,22)
InChIKeyMARUNRKQKNXGKR-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.15
Rot. Bonds4

About N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine

N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine (PubChem CID 15979015) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
PubChem CID15979015
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC NameN-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine
SMILESc1ncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)cn1
InChIInChI=1S/C16H17N7S/c1-2-20-15(7-13(1)23-5-3-17-4-6-23)22-16-21-10-14(24-16)12-8-18-11-19-9-12/h1-2,7-11,17H,3-6H2,(H,20,21,22)
InChIKeyMARUNRKQKNXGKR-UHFFFAOYSA-N
XLogP2.15
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine (CID 15979015) is N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine is c1ncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)cn1.
What is the InChIKey of N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
The InChIKey is MARUNRKQKNXGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-2-20-15(7-13(1)23-5-3-17-4-6-23)22-16-21-10-14(24-16)12-8-18-11-19-9-12/h1-2,7-11,17H,3-6H2,(H,20,21,22).
What are the key properties of N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine?
N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine has a molecular weight of 339.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-yl-2-pyridinyl)-5-pyrimidin-5-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 15979015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).