N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide

C19H26N4O2S2 — CID 78867244

IUPACN-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C3CCC(C)CC3)C3CC3)o2)s1
InChIInChI=1S/C19H26N4O2S2/c1-11-4-6-14(7-5-11)23(15-8-9-15)16(24)10-26-19-22-21-18(25-19)17-12(2)20-13(3)27-17/h11,14-15H,4-10H2,1-3H3
InChIKeyQLJOVFZWZKLGRL-UHFFFAOYSA-N
MW406.58 g/mol
LogP4.47
Rot. Bonds6

About N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide

N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 78867244) has the molecular formula C19H26N4O2S2 and a molecular weight of 406.58 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide
PubChem CID78867244
Molecular FormulaC19H26N4O2S2
Molecular Weight406.58 g/mol
Exact Mass406.15
IUPAC NameN-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide
SMILESCc1nc(C)c(-c2nnc(SCC(=O)N(C3CCC(C)CC3)C3CC3)o2)s1
InChIInChI=1S/C19H26N4O2S2/c1-11-4-6-14(7-5-11)23(15-8-9-15)16(24)10-26-19-22-21-18(25-19)17-12(2)20-13(3)27-17/h11,14-15H,4-10H2,1-3H3
InChIKeyQLJOVFZWZKLGRL-UHFFFAOYSA-N
XLogP4.47
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide with MolForge

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Related Compounds

2-[1-(Cyclohexylmethyl)piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598888
N-(cyclohexen-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 24652963
2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 24652965
N,N-dicyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 24669892
N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 24669928
N-cyclohexyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 24669930
Methyl 1-[2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxylate
CID 34357473
(2R)-N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 40142436
(2S)-N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 40142437
N-cycloheptyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 42941787
2-[[5-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 43047052
1-(Azocan-1-yl)-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 43047079

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide (CID 78867244) is N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide is Cc1nc(C)c(-c2nnc(SCC(=O)N(C3CCC(C)CC3)C3CC3)o2)s1.
What is the InChIKey of N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is QLJOVFZWZKLGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S2/c1-11-4-6-14(7-5-11)23(15-8-9-15)16(24)10-26-19-22-21-18(25-19)17-12(2)20-13(3)27-17/h11,14-15H,4-10H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide?
N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 406.58 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 78867244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).