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

C14H17N3O2S2 — CID 123645494

IUPACN-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(-c2nc(C(C)=O)cs2)cs1
InChIInChI=1S/C14H17N3O2S2/c1-3-4-12(19)15-6-5-13-16-11(8-20-13)14-17-10(7-21-14)9(2)18/h7-8H,3-6H2,1-2H3,(H,15,19)
InChIKeyLHCZSJZXTCZNAO-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.93
Rot. Bonds7

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

N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide (PubChem CID 123645494) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide
PubChem CID123645494
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(-c2nc(C(C)=O)cs2)cs1
InChIInChI=1S/C14H17N3O2S2/c1-3-4-12(19)15-6-5-13-16-11(8-20-13)14-17-10(7-21-14)9(2)18/h7-8H,3-6H2,1-2H3,(H,15,19)
InChIKeyLHCZSJZXTCZNAO-UHFFFAOYSA-N
XLogP2.93
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(hydroxyamino)-5-oxopentyl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468928
N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
CID 24856354
N-[(2S)-1-[[3-(hydroxyamino)-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468805
N-[(2S)-1-[[4-(hydroxyamino)-4-oxobutyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468924
N-[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71468804
Dimethyl(3-(((2'-methyl(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)sulfonium chloride
CID 72644
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]acetamide
CID 50983544
Tripeptide S
CID 148991
Acetyldipeptide A2
CID 133737
Acetyldipeptide B2
CID 137404
2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
CID 325407
2-[2-(2-acetamidoethyl)-1,3-thiazol-4-yl]-N-pentyl-1,3-thiazole-4-carboxamide
CID 325516

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide (CID 123645494) is N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide is CCCC(=O)NCCc1nc(-c2nc(C(C)=O)cs2)cs1.
What is the InChIKey of N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide?
The InChIKey is LHCZSJZXTCZNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-3-4-12(19)15-6-5-13-16-11(8-20-13)14-17-10(7-21-14)9(2)18/h7-8H,3-6H2,1-2H3,(H,15,19).
What are the key properties of N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide?
N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide has a molecular weight of 323.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-acetyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 123645494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).