N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide

C8H14N4OS — CID 126483689

IUPACN',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
SMILESCC(C)c1nnsc1C(=O)NN(C)C
InChIInChI=1S/C8H14N4OS/c1-5(2)6-7(14-11-9-6)8(13)10-12(3)4/h5H,1-4H3,(H,10,13)
InChIKeyXORWXCODJYRZFW-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.87
Rot. Bonds3

About N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide

N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide (PubChem CID 126483689) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
PubChem CID126483689
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
SMILESCC(C)c1nnsc1C(=O)NN(C)C
InChIInChI=1S/C8H14N4OS/c1-5(2)6-7(14-11-9-6)8(13)10-12(3)4/h5H,1-4H3,(H,10,13)
InChIKeyXORWXCODJYRZFW-UHFFFAOYSA-N
XLogP0.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 114383694
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'-(cyclopropanecarbonyl)-4-ethylthiadiazole-5-carbohydrazide
CID 36706621
4-Ethyl-1,2,3-thiadiazole-5-carbohydrazide
CID 60664936
4-ethyl-N-methylthiadiazole-5-carboxamide
CID 60718183
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204124
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204125
4-Propan-2-ylthiadiazole-5-carbonyl azide
CID 65204135

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide?
The IUPAC name of N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide (CID 126483689) is N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide.
What is the SMILES notation for N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide?
The canonical SMILES for N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide is CC(C)c1nnsc1C(=O)NN(C)C.
What is the InChIKey of N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide?
The InChIKey is XORWXCODJYRZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5(2)6-7(14-11-9-6)8(13)10-12(3)4/h5H,1-4H3,(H,10,13).
What are the key properties of N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide?
N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide has a molecular weight of 214.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide is sourced from PubChem (CID 126483689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).