N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C10H14ClN3OS — CID 18430303

IUPACN-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCC(C)(CCl)c1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C10H14ClN3OS/c1-10(2,5-11)8-13-14-9(16-8)12-7(15)6-3-4-6/h6H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyKDOKZLSGPVBDLS-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.40
Rot. Bonds4

About N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 18430303) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID18430303
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC NameN-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCC(C)(CCl)c1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C10H14ClN3OS/c1-10(2,5-11)8-13-14-9(16-8)12-7(15)6-3-4-6/h6H,3-5H2,1-2H3,(H,12,14,15)
InChIKeyKDOKZLSGPVBDLS-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexane-1-carboxamide
CID 841730
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176294
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
2,2-dimethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320669
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 19202988
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119777248
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119279901
3-amino-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119705195
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 167019906
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
CID 68796251
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-propylcyclohexane-1-carboxamide
CID 4289230

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 18430303) is N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is CC(C)(CCl)c1nnc(NC(=O)C2CC2)s1.
What is the InChIKey of N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is KDOKZLSGPVBDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-10(2,5-11)8-13-14-9(16-8)12-7(15)6-3-4-6/h6H,3-5H2,1-2H3,(H,12,14,15).
What are the key properties of N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 259.76 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-chloro-2-methylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 18430303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).