N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C15H13N5OS — CID 877511

IUPACN-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3ncccn3)n2)c1
InChIInChI=1S/C15H13N5OS/c1-10(21)18-12-5-2-4-11(8-12)13-9-22-15(19-13)20-14-16-6-3-7-17-14/h2-9H,1H3,(H,18,21)(H,16,17,19,20)
InChIKeyLIJAMBPGZLWSNA-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.30
Rot. Bonds4

About N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 877511) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID877511
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(Nc3ncccn3)n2)c1
InChIInChI=1S/C15H13N5OS/c1-10(21)18-12-5-2-4-11(8-12)13-9-22-15(19-13)20-14-16-6-3-7-17-14/h2-9H,1H3,(H,18,21)(H,16,17,19,20)
InChIKeyLIJAMBPGZLWSNA-UHFFFAOYSA-N
XLogP3.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 877511) is N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2csc(Nc3ncccn3)n2)c1.
What is the InChIKey of N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is LIJAMBPGZLWSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-10(21)18-12-5-2-4-11(8-12)13-9-22-15(19-13)20-14-16-6-3-7-17-14/h2-9H,1H3,(H,18,21)(H,16,17,19,20).
What are the key properties of N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 311.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 877511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).