N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C17H24N4O2S2 — CID 42941787

IUPACN-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1nc(C)c(-c2nnc(SC(C)C(=O)NC3CCCCCC3)o2)s1
InChIInChI=1S/C17H24N4O2S2/c1-10-14(25-12(3)18-10)16-20-21-17(23-16)24-11(2)15(22)19-13-8-6-4-5-7-9-13/h11,13H,4-9H2,1-3H3,(H,19,22)
InChIKeyXXMLQXCWQIBNLT-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.13
Rot. Bonds5

About N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 42941787) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID42941787
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC NameN-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1nc(C)c(-c2nnc(SC(C)C(=O)NC3CCCCCC3)o2)s1
InChIInChI=1S/C17H24N4O2S2/c1-10-14(25-12(3)18-10)16-20-21-17(23-16)24-11(2)15(22)19-13-8-6-4-5-7-9-13/h11,13H,4-9H2,1-3H3,(H,19,22)
InChIKeyXXMLQXCWQIBNLT-UHFFFAOYSA-N
XLogP4.13
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 42941787) is N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1nc(C)c(-c2nnc(SC(C)C(=O)NC3CCCCCC3)o2)s1.
What is the InChIKey of N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is XXMLQXCWQIBNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-10-14(25-12(3)18-10)16-20-21-17(23-16)24-11(2)15(22)19-13-8-6-4-5-7-9-13/h11,13H,4-9H2,1-3H3,(H,19,22).
What are the key properties of N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 380.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 42941787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).