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

C15H20N6O2S2 — CID 139461012

IUPACN-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(C2CCC(c3nnc(NC(C)=O)s3)CC2)s1
InChIInChI=1S/C15H20N6O2S2/c1-3-11(23)17-15-21-19-13(25-15)10-6-4-9(5-7-10)12-18-20-14(24-12)16-8(2)22/h9-10H,3-7H2,1-2H3,(H,16,20,22)(H,17,21,23)
InChIKeyZSHKQJWCALCLLJ-UHFFFAOYSA-N
MW380.50 g/mol
LogP3.14
Rot. Bonds5

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

N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 139461012) has the molecular formula C15H20N6O2S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID139461012
Molecular FormulaC15H20N6O2S2
Molecular Weight380.50 g/mol
Exact Mass380.11
IUPAC NameN-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(C2CCC(c3nnc(NC(C)=O)s3)CC2)s1
InChIInChI=1S/C15H20N6O2S2/c1-3-11(23)17-15-21-19-13(25-15)10-6-4-9(5-7-10)12-18-20-14(24-12)16-8(2)22/h9-10H,3-7H2,1-2H3,(H,16,20,22)(H,17,21,23)
InChIKeyZSHKQJWCALCLLJ-UHFFFAOYSA-N
XLogP3.14
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123932745
2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-ethyl-1-methylurea
CID 86768814
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 19229276
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 23609443
2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 39176888
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 5154361
2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71828007

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 139461012) is N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(C2CCC(c3nnc(NC(C)=O)s3)CC2)s1.
What is the InChIKey of N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is ZSHKQJWCALCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S2/c1-3-11(23)17-15-21-19-13(25-15)10-6-4-9(5-7-10)12-18-20-14(24-12)16-8(2)22/h9-10H,3-7H2,1-2H3,(H,16,20,22)(H,17,21,23).
What are the key properties of N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 380.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 139461012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).