N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide

C13H16N6OS — CID 175204770

IUPACN-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide
SMILESCc1nc(-c2cnc(N3CCNCC3)nc2)sc1NC=O
InChIInChI=1S/C13H16N6OS/c1-9-11(17-8-20)21-12(18-9)10-6-15-13(16-7-10)19-4-2-14-3-5-19/h6-8,14H,2-5H2,1H3,(H,17,20)
InChIKeyAVNWAQDIZVPNFK-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.89
Rot. Bonds4

About N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide

N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide (PubChem CID 175204770) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide.

Molecular Properties

Compound NameN-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide
PubChem CID175204770
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide
SMILESCc1nc(-c2cnc(N3CCNCC3)nc2)sc1NC=O
InChIInChI=1S/C13H16N6OS/c1-9-11(17-8-20)21-12(18-9)10-6-15-13(16-7-10)19-4-2-14-3-5-19/h6-8,14H,2-5H2,1H3,(H,17,20)
InChIKeyAVNWAQDIZVPNFK-UHFFFAOYSA-N
XLogP0.89
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide?
The IUPAC name of N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide (CID 175204770) is N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide.
What is the SMILES notation for N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide?
The canonical SMILES for N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide is Cc1nc(-c2cnc(N3CCNCC3)nc2)sc1NC=O.
What is the InChIKey of N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide?
The InChIKey is AVNWAQDIZVPNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-9-11(17-8-20)21-12(18-9)10-6-15-13(16-7-10)19-4-2-14-3-5-19/h6-8,14H,2-5H2,1H3,(H,17,20).
What are the key properties of N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide?
N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide has a molecular weight of 304.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-thiazol-5-yl]formamide is sourced from PubChem (CID 175204770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).