N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide

C16H25N3O2S — CID 97015761

IUPACN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)Nc1nnc(CC2CCCCC2)s1
InChIInChI=1S/C16H25N3O2S/c20-14(9-8-13-7-4-10-21-13)17-16-19-18-15(22-16)11-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,17,19,20)/t13-/m0/s1
InChIKeyPAVWSGUQNGSALR-ZDUSSCGKSA-N
MW323.46 g/mol
LogP3.56
Rot. Bonds6

About N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide

N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 97015761) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID97015761
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)Nc1nnc(CC2CCCCC2)s1
InChIInChI=1S/C16H25N3O2S/c20-14(9-8-13-7-4-10-21-13)17-16-19-18-15(22-16)11-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,17,19,20)/t13-/m0/s1
InChIKeyPAVWSGUQNGSALR-ZDUSSCGKSA-N
XLogP3.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide with MolForge

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39090374
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
CID 51077970
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102556412
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
N-[5-[1-(2,3-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 46969308
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 65155345
3-cyclopentyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 52569880
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
CID 52896832
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 13234330
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-(oxolan-2-yl)propanamide
CID 75402955
3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide
CID 71919174

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide (CID 97015761) is N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide is O=C(CC[C@@H]1CCCO1)Nc1nnc(CC2CCCCC2)s1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is PAVWSGUQNGSALR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2S/c20-14(9-8-13-7-4-10-21-13)17-16-19-18-15(22-16)11-12-5-2-1-3-6-12/h12-13H,1-11H2,(H,17,19,20)/t13-/m0/s1.
What are the key properties of N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide?
N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 323.46 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1,3,4-thiadiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 97015761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).