N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide

C11H15N5OS — CID 99628577

IUPACN-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC[C@@H](NC(=O)CCn1cncn1)c1nccs1
InChIInChI=1S/C11H15N5OS/c1-2-9(11-13-4-6-18-11)15-10(17)3-5-16-8-12-7-14-16/h4,6-9H,2-3,5H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyFBMYLLQDSMHBGJ-SECBINFHSA-N
MW265.34 g/mol
LogP1.39
Rot. Bonds6

About N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 99628577) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID99628577
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC[C@@H](NC(=O)CCn1cncn1)c1nccs1
InChIInChI=1S/C11H15N5OS/c1-2-9(11-13-4-6-18-11)15-10(17)3-5-16-8-12-7-14-16/h4,6-9H,2-3,5H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyFBMYLLQDSMHBGJ-SECBINFHSA-N
XLogP1.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 99628577) is N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide is CC[C@@H](NC(=O)CCn1cncn1)c1nccs1.
What is the InChIKey of N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is FBMYLLQDSMHBGJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-2-9(11-13-4-6-18-11)15-10(17)3-5-16-8-12-7-14-16/h4,6-9H,2-3,5H2,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 265.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 99628577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).