N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C18H17N5O3S — CID 90403228

IUPACN-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCCC(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnc(C)s3)c2)cn1
InChIInChI=1S/C18H17N5O3S/c1-3-17(24)23-18(25)22-16-5-4-13(9-21-16)26-12-6-7-19-14(8-12)15-10-20-11(2)27-15/h4-10H,3H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyPKLAIKPRJRSVBW-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.76
Rot. Bonds5

About N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 90403228) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound NameN-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID90403228
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCCC(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnc(C)s3)c2)cn1
InChIInChI=1S/C18H17N5O3S/c1-3-17(24)23-18(25)22-16-5-4-13(9-21-16)26-12-6-7-19-14(8-12)15-10-20-11(2)27-15/h4-10H,3H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyPKLAIKPRJRSVBW-UHFFFAOYSA-N
XLogP3.76
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 90403228) is N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is CCC(=O)NC(=O)Nc1ccc(Oc2ccnc(-c3cnc(C)s3)c2)cn1.
What is the InChIKey of N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is PKLAIKPRJRSVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-3-17(24)23-18(25)22-16-5-4-13(9-21-16)26-12-6-7-19-14(8-12)15-10-20-11(2)27-15/h4-10H,3H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 383.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-(2-methyl-1,3-thiazol-5-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 90403228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).