N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide

C12H17N5O2S — CID 91651532

IUPACN-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncsc1C(=O)NCCc1nnc(N)o1
InChIInChI=1S/C12H17N5O2S/c1-12(2,3)9-8(20-6-15-9)10(18)14-5-4-7-16-17-11(13)19-7/h6H,4-5H2,1-3H3,(H2,13,17)(H,14,18)
InChIKeyHLSCVFIQJUDVPE-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.38
Rot. Bonds4

About N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide

N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide (PubChem CID 91651532) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide
PubChem CID91651532
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncsc1C(=O)NCCc1nnc(N)o1
InChIInChI=1S/C12H17N5O2S/c1-12(2,3)9-8(20-6-15-9)10(18)14-5-4-7-16-17-11(13)19-7/h6H,4-5H2,1-3H3,(H2,13,17)(H,14,18)
InChIKeyHLSCVFIQJUDVPE-UHFFFAOYSA-N
XLogP1.38
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111577113
N-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558434
4-tert-butyl-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 136515701
4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558309
N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 122152494
4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110322438
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
4-tert-butyl-N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321928
N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65204953

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide (CID 91651532) is N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncsc1C(=O)NCCc1nnc(N)o1.
What is the InChIKey of N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide?
The InChIKey is HLSCVFIQJUDVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-12(2,3)9-8(20-6-15-9)10(18)14-5-4-7-16-17-11(13)19-7/h6H,4-5H2,1-3H3,(H2,13,17)(H,14,18).
What are the key properties of N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide?
N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-amino-1,3,4-oxadiazol-2-yl)ethyl]-4-tert-butyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91651532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).