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

C14H21N3O3S — CID 65206264

IUPAC1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-13(2,3)10-9(21-17-16-10)11(18)15-14(12(19)20)7-5-4-6-8-14/h4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyJYPZSJZMUVRGNC-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.35
Rot. Bonds3

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

1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 65206264) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID65206264
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-13(2,3)10-9(21-17-16-10)11(18)15-14(12(19)20)7-5-4-6-8-14/h4-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyJYPZSJZMUVRGNC-UHFFFAOYSA-N
XLogP2.35
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-tert-butylthiadiazole-5-carbonyl)amino]oxane-4-carboxylic acid
CID 115291629
4-tert-butyl-N-(1-carbamothioylcyclohexyl)thiadiazole-5-carboxamide
CID 65205073
1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158582
1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311960
1-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119113815
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
1-[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 56799138
1-[(4-methyl-1,3-thiazole-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341636
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206184
(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 65206035
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341633
4-tert-butyl-N-[(2-chlorocyclohexyl)methyl]thiadiazole-5-carboxamide
CID 114301652

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 65206264) is 1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is CC(C)(C)c1nnsc1C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JYPZSJZMUVRGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-13(2,3)10-9(21-17-16-10)11(18)15-14(12(19)20)7-5-4-6-8-14/h4-8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-tert-butylthiadiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.35, 3 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65206264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).