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

C12H17N5OS — CID 131921348

IUPACN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(C(C)NC(=O)CCc2nncn2C)cs1
InChIInChI=1S/C12H17N5OS/c1-8(10-6-19-9(2)15-10)14-12(18)5-4-11-16-13-7-17(11)3/h6-8H,4-5H2,1-3H3,(H,14,18)
InChIKeyOVANNWYRTLCOCX-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.39
Rot. Bonds5

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

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 131921348) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID131921348
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCc1nc(C(C)NC(=O)CCc2nncn2C)cs1
InChIInChI=1S/C12H17N5OS/c1-8(10-6-19-9(2)15-10)14-12(18)5-4-11-16-13-7-17(11)3/h6-8H,4-5H2,1-3H3,(H,14,18)
InChIKeyOVANNWYRTLCOCX-UHFFFAOYSA-N
XLogP1.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125446347
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 118764161
3-(4-methyl-1,2,4-triazol-3-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 118793035
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 108737245
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 99972025
N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 99929121
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
N-[(R)-(4-chlorophenyl)-phenylmethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 99929107
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 108737160
N-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125169907
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 122566824
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 63330580

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 131921348) is N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is Cc1nc(C(C)NC(=O)CCc2nncn2C)cs1.
What is the InChIKey of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is OVANNWYRTLCOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8(10-6-19-9(2)15-10)14-12(18)5-4-11-16-13-7-17(11)3/h6-8H,4-5H2,1-3H3,(H,14,18).
What are the key properties of N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 279.37 g/mol, XLogP of 1.39, 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-1,3-thiazol-4-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 131921348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).