N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C13H19N5OS — CID 71856667

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NCCc2ncn(C)n2)cs1
InChIInChI=1S/C13H19N5OS/c1-9(2)13-16-10(7-20-13)6-12(19)14-5-4-11-15-8-18(3)17-11/h7-9H,4-6H2,1-3H3,(H,14,19)
InChIKeyAEJOXQKQUOZQSD-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 71856667) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID71856667
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NCCc2ncn(C)n2)cs1
InChIInChI=1S/C13H19N5OS/c1-9(2)13-16-10(7-20-13)6-12(19)14-5-4-11-15-8-18(3)17-11/h7-9H,4-6H2,1-3H3,(H,14,19)
InChIKeyAEJOXQKQUOZQSD-UHFFFAOYSA-N
XLogP1.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1-methyl-1H-1,2,4-triazol-3-yl)-N'-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 46985118
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]acetamide
CID 53570543
2-(2-ethyl-1,3-thiazol-4-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 53617710
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 72142766
2-(2-Tert-butyl-1,3-thiazol-4-yl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72142959
2-(2-Propan-2-yl-1,3-thiazol-4-yl)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 72143059
2-(2-methyl-1,3-thiazol-4-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 72143735
1-[2-(4-Methyl-1,3-thiazol-2-yl)propyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75505191
N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1H-tetrazol-1-yl)propanamide
CID 91764623
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 95214612
1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 100702932
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118795071

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 71856667) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)NCCc2ncn(C)n2)cs1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is AEJOXQKQUOZQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9(2)13-16-10(7-20-13)6-12(19)14-5-4-11-15-8-18(3)17-11/h7-9H,4-6H2,1-3H3,(H,14,19).
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 71856667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).