5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide

C8H11F3N4OS — CID 106238655

IUPAC5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide
SMILESNC(=O)CCCCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N4OS/c9-8(10,11)6-14-15-7(17-6)13-4-2-1-3-5(12)16/h1-4H2,(H2,12,16)(H,13,15)
InChIKeyCWCQDFYISUSWEM-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.62
Rot. Bonds6

About 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide

5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide (PubChem CID 106238655) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide.

Molecular Properties

Compound Name5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide
PubChem CID106238655
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide
SMILESNC(=O)CCCCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N4OS/c9-8(10,11)6-14-15-7(17-6)13-4-2-1-3-5(12)16/h1-4H2,(H2,12,16)(H,13,15)
InChIKeyCWCQDFYISUSWEM-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hexane-1,6-diamine
CID 107845141
3-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butanamide
CID 114142994
tert-butyl N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]carbamate
CID 114448421
N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448040
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279556
2-amino-2-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119279554
3-methyl-2-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]butanoic acid
CID 114449398
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]propanoic acid
CID 122074663
2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 784732
5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
CID 106238769
N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
CID 106339251
1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 114449455

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide?
The IUPAC name of 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide (CID 106238655) is 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide.
What is the SMILES notation for 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide?
The canonical SMILES for 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide is NC(=O)CCCCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide?
The InChIKey is CWCQDFYISUSWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c9-8(10,11)6-14-15-7(17-6)13-4-2-1-3-5(12)16/h1-4H2,(H2,12,16)(H,13,15).
What are the key properties of 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide?
5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide has a molecular weight of 268.26 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide is sourced from PubChem (CID 106238655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).