N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

C13H19N5OS — CID 56709983

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C13H19N5OS/c1-5-18-11(14-7-15-18)9(4)16-12(19)13-17-10(6-20-13)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyPMDMUYKHWQIOLO-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.37
Rot. Bonds5

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 56709983) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID56709983
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C13H19N5OS/c1-5-18-11(14-7-15-18)9(4)16-12(19)13-17-10(6-20-13)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyPMDMUYKHWQIOLO-UHFFFAOYSA-N
XLogP2.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 56709983) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is CCn1ncnc1C(C)NC(=O)c1nc(C(C)C)cs1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is PMDMUYKHWQIOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-18-11(14-7-15-18)9(4)16-12(19)13-17-10(6-20-13)8(2)3/h6-9H,5H2,1-4H3,(H,16,19).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 56709983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).