N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide

C9H12N4O2S — CID 36706621

IUPACN'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)C1CC1
InChIInChI=1S/C9H12N4O2S/c1-2-6-7(16-13-10-6)9(15)12-11-8(14)5-3-4-5/h5H,2-4H2,1H3,(H,11,14)(H,12,15)
InChIKeyXMXKHWJMVXKQDC-UHFFFAOYSA-N
MW240.29 g/mol
LogP0.27
Rot. Bonds3

About N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide

N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide (PubChem CID 36706621) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide
PubChem CID36706621
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC NameN'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide
SMILESCCc1nnsc1C(=O)NNC(=O)C1CC1
InChIInChI=1S/C9H12N4O2S/c1-2-6-7(16-13-10-6)9(15)12-11-8(14)5-3-4-5/h5H,2-4H2,1H3,(H,11,14)(H,12,15)
InChIKeyXMXKHWJMVXKQDC-UHFFFAOYSA-N
XLogP0.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Isopropyl-1,2,3-thiadiazole-5-carboxamide
CID 17984106
4-Ethyl-1,2,3-thiadiazole-5-carboxamide
CID 45084470
4-Propylthiadiazole-5-carbohydrazide
CID 65205659
4-Cyclopropyl-1,2,3-thiadiazole-5-carbohydrazide
CID 68422233
N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
CID 126483688
N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
CID 126483689
ethyl N-[(4-ethylthiadiazole-5-carbonyl)amino]carbamate
CID 35800709
4-Ethyl-1,2,3-thiadiazole-5-carbohydrazide
CID 60664936
4-Propan-2-ylthiadiazole-5-carbohydrazide
CID 65204705
4-Tert-butylthiadiazole-5-carbohydrazide
CID 65205609
[(4-Propan-2-ylthiadiazole-5-carbonyl)amino]urea
CID 65206384
[(4-Propylthiadiazole-5-carbonyl)amino]urea
CID 65207641

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide (CID 36706621) is N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide is CCc1nnsc1C(=O)NNC(=O)C1CC1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide?
The InChIKey is XMXKHWJMVXKQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c1-2-6-7(16-13-10-6)9(15)12-11-8(14)5-3-4-5/h5H,2-4H2,1H3,(H,11,14)(H,12,15).
What are the key properties of N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide?
N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide has a molecular weight of 240.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 36706621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).