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

C13H19N5OS — CID 122557720

IUPACN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(C(C)C)n1)c1ncnn1C
InChIInChI=1S/C13H19N5OS/c1-5-9(11-14-7-15-18(11)4)16-12(19)10-6-20-13(17-10)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyBEWSGVKUDRXJHL-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.28
Rot. Bonds5

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

N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 122557720) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID122557720
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(C(C)C)n1)c1ncnn1C
InChIInChI=1S/C13H19N5OS/c1-5-9(11-14-7-15-18(11)4)16-12(19)10-6-20-13(17-10)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)
InChIKeyBEWSGVKUDRXJHL-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91842330
2-amino-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443480
2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443478
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125446952
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122566164
4-imidazol-1-yl-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 125438565
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 124750445
N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694251
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 91784989

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 122557720) is N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is CCC(NC(=O)c1csc(C(C)C)n1)c1ncnn1C.
What is the InChIKey of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BEWSGVKUDRXJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-9(11-14-7-15-18(11)4)16-12(19)10-6-20-13(17-10)8(2)3/h6-9H,5H2,1-4H3,(H,16,19).
What are the key properties of N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122557720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).