N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide

C16H23N3O2S2 — CID 122692246

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C16H23N3O2S2/c1-5-6-7-12(20)19-15-18-9-14(23-15)22-10-13-17-8-11(21-13)16(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,18,19,20)
InChIKeyGIXFKFWAYXSEDL-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.85
Rot. Bonds7

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide (PubChem CID 122692246) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide
PubChem CID122692246
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C16H23N3O2S2/c1-5-6-7-12(20)19-15-18-9-14(23-15)22-10-13-17-8-11(21-13)16(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,18,19,20)
InChIKeyGIXFKFWAYXSEDL-UHFFFAOYSA-N
XLogP4.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide
CID 25226004
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide
CID 90701484
methyl 3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 87531460
N-[2-amino-4-(trifluoromethyl)phenyl]-N'-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]octanediamide
CID 46832851
2-(4-aminophenyl)-N'-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]octanediamide
CID 88540031
4-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-pyridin-2-ylbutanamide
CID 46830544
9-[2-amino-5-(trifluoromethyl)phenyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-8-oxononanamide
CID 158434821
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide
CID 22970899
3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide
CID 25226544
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-4-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 25226546
1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 22970811
5-[3-[bis(2-chloroethyl)amino]phenyl]-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide
CID 122692249

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide (CID 122692246) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide?
The InChIKey is GIXFKFWAYXSEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-5-6-7-12(20)19-15-18-9-14(23-15)22-10-13-17-8-11(21-13)16(2,3)4/h8-9H,5-7,10H2,1-4H3,(H,18,19,20).
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide has a molecular weight of 353.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 122692246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).