1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C12H17N3O3S — CID 113311960

IUPAC1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3S/c1-11(2,3)8-7(19-15-14-8)9(16)13-6-12(4-5-12)10(17)18/h4-6H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyFXYKIWCTIWEPJI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.43
Rot. Bonds4

About 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113311960) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113311960
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H17N3O3S/c1-11(2,3)8-7(19-15-14-8)9(16)13-6-12(4-5-12)10(17)18/h4-6H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyFXYKIWCTIWEPJI-UHFFFAOYSA-N
XLogP1.43
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 113311960) is 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is CC(C)(C)c1nnsc1C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FXYKIWCTIWEPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-11(2,3)8-7(19-15-14-8)9(16)13-6-12(4-5-12)10(17)18/h4-6H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113311960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).