N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide

C10H11F3N4O2S — CID 943075

IUPACN-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
SMILESO=C(CCC(=O)NC1CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4O2S/c11-10(12,13)8-16-17-9(20-8)15-7(19)4-3-6(18)14-5-1-2-5/h5H,1-4H2,(H,14,18)(H,15,17,19)
InChIKeySYBRMWFPHDOPDW-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.55
Rot. Bonds5

About N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide

N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide (PubChem CID 943075) has the molecular formula C10H11F3N4O2S and a molecular weight of 308.29 g/mol. Its IUPAC name is N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
PubChem CID943075
Molecular FormulaC10H11F3N4O2S
Molecular Weight308.29 g/mol
Exact Mass308.06
IUPAC NameN-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide
SMILESO=C(CCC(=O)NC1CC1)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4O2S/c11-10(12,13)8-16-17-9(20-8)15-7(19)4-3-6(18)14-5-1-2-5/h5H,1-4H2,(H,14,18)(H,15,17,19)
InChIKeySYBRMWFPHDOPDW-UHFFFAOYSA-N
XLogP1.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N'-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 940989
N-cyclopropyl-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 943323
N-Cyclooctyl-N'-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 4977394
N-cyclopropyl-N'-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 939643
N-cyclopropyl-N'-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 945676
N-Cycloheptyl-N'-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1394610
4-(2-methylpiperidin-1-yl)-4-oxo-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 3776282
Succinamide, N-isopropyl-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-
CID 3065366
4-oxo-4-pyrrolidin-1-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 663967
4-(2-ethylpiperidin-1-yl)-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3874935
4-oxo-4-(piperidin-1-yl)-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 939012
N-cyclopentyl-N'-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 940931

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The IUPAC name of N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide (CID 943075) is N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide.
What is the SMILES notation for N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The canonical SMILES for N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide is O=C(CCC(=O)NC1CC1)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide?
The InChIKey is SYBRMWFPHDOPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S/c11-10(12,13)8-16-17-9(20-8)15-7(19)4-3-6(18)14-5-1-2-5/h5H,1-4H2,(H,14,18)(H,15,17,19).
What are the key properties of N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide?
N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide has a molecular weight of 308.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanediamide is sourced from PubChem (CID 943075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).