N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide

C6H9N3OS — CID 21239238

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
SMILESCCCc1nnc(NC=O)s1
InChIInChI=1S/C6H9N3OS/c1-2-3-5-8-9-6(11-5)7-4-10/h4H,2-3H2,1H3,(H,7,9,10)
InChIKeyRAESBMHFYOFFHZ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.06
Rot. Bonds4

About N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide

N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide (PubChem CID 21239238) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
PubChem CID21239238
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
SMILESCCCc1nnc(NC=O)s1
InChIInChI=1S/C6H9N3OS/c1-2-3-5-8-9-6(11-5)7-4-10/h4H,2-3H2,1H3,(H,7,9,10)
InChIKeyRAESBMHFYOFFHZ-UHFFFAOYSA-N
XLogP1.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
CID 3846618
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 82109868
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
2-tert-butylsulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78792540
ethyl 3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 82316839
1-hydroxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
CID 110907147

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide (CID 21239238) is N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide is CCCc1nnc(NC=O)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide?
The InChIKey is RAESBMHFYOFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-2-3-5-8-9-6(11-5)7-4-10/h4H,2-3H2,1H3,(H,7,9,10).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide has a molecular weight of 171.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide is sourced from PubChem (CID 21239238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).