N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C12H19N3OS2 — CID 4817900

IUPACN-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SC(C)C(=O)NC2CCCCC2)s1
InChIInChI=1S/C12H19N3OS2/c1-8(17-12-15-14-9(2)18-12)11(16)13-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyDPBWIBIILDJAHW-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.78
Rot. Bonds4

About N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 4817900) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID4817900
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC NameN-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCc1nnc(SC(C)C(=O)NC2CCCCC2)s1
InChIInChI=1S/C12H19N3OS2/c1-8(17-12-15-14-9(2)18-12)11(16)13-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyDPBWIBIILDJAHW-UHFFFAOYSA-N
XLogP2.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1152793
N-cyclohexyl-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2661379
N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2994294
N-(2-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 16266581
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
CID 2141536
N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7474380
N-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 895382
N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 754909
N-(2-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2956050
N-cyclohexyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4002633
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 45853810
N-cycloheptyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2196054

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 4817900) is N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is Cc1nnc(SC(C)C(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is DPBWIBIILDJAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-8(17-12-15-14-9(2)18-12)11(16)13-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 285.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 4817900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).