N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide

C15H15N5OS2 — CID 755435

IUPACN-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1
InChIInChI=1S/C15H15N5OS2/c1-3-12(21)20-15-17-9(2)13(23-15)10-8-22-14(18-10)19-11-6-4-5-7-16-11/h4-8H,3H2,1-2H3,(H,16,18,19)(H,17,20,21)
InChIKeyROAQTVUIVUPRIF-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.06
Rot. Bonds5

About N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide

N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide (PubChem CID 755435) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
PubChem CID755435
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC NameN-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1
InChIInChI=1S/C15H15N5OS2/c1-3-12(21)20-15-17-9(2)13(23-15)10-8-22-14(18-10)19-11-6-4-5-7-16-11/h4-8H,3H2,1-2H3,(H,16,18,19)(H,17,20,21)
InChIKeyROAQTVUIVUPRIF-UHFFFAOYSA-N
XLogP4.06
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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CID 5829079
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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide (CID 755435) is N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccn3)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is ROAQTVUIVUPRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-3-12(21)20-15-17-9(2)13(23-15)10-8-22-14(18-10)19-11-6-4-5-7-16-11/h4-8H,3H2,1-2H3,(H,16,18,19)(H,17,20,21).
What are the key properties of N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide?
N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 345.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 755435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).