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

C13H17N3OS2 — CID 123185864

IUPACN-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(-c2nc(C)cs2)cs1
InChIInChI=1S/C13H17N3OS2/c1-3-4-11(17)14-6-5-12-16-10(8-18-12)13-15-9(2)7-19-13/h7-8H,3-6H2,1-2H3,(H,14,17)
InChIKeyJRXMKVVTDOPDSM-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.03
Rot. Bonds6

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

N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide (PubChem CID 123185864) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide
PubChem CID123185864
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC NameN-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(-c2nc(C)cs2)cs1
InChIInChI=1S/C13H17N3OS2/c1-3-4-11(17)14-6-5-12-16-10(8-18-12)13-15-9(2)7-19-13/h7-8H,3-6H2,1-2H3,(H,14,17)
InChIKeyJRXMKVVTDOPDSM-UHFFFAOYSA-N
XLogP3.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
2-[2-[2-(butanoylamino)ethyl]-1,3-thiazol-4-yl]-N-methyl-1,3-thiazole-4-carboxamide;2-butylguanidine;ethane
CID 156716364
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
tert-butyl N-[2-[4-[4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethyl]carbamate
CID 24895318
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 39071979
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
3-(2-aminophenoxy)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 63239032

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide (CID 123185864) is N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide is CCCC(=O)NCCc1nc(-c2nc(C)cs2)cs1.
What is the InChIKey of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide?
The InChIKey is JRXMKVVTDOPDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-3-4-11(17)14-6-5-12-16-10(8-18-12)13-15-9(2)7-19-13/h7-8H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide?
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide has a molecular weight of 295.43 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 123185864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).