cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

C17H20ClN3OS — CID 843555

IUPACcis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H20ClN3OS/c1-17(2,3)9-14-20-21-16(23-14)19-15(22)13-8-12(13)10-4-6-11(18)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,21,22)/t12-,13-/m0/s1
InChIKeyUROWBTAOEQYJAP-STQMWFEESA-N
MW349.89 g/mol
LogP4.52
Rot. Bonds4

About cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 843555) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID843555
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Namecis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H20ClN3OS/c1-17(2,3)9-14-20-21-16(23-14)19-15(22)13-8-12(13)10-4-6-11(18)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,21,22)/t12-,13-/m0/s1
InChIKeyUROWBTAOEQYJAP-STQMWFEESA-N
XLogP4.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 96564542
2-phenyl-N-[5-[4-[5-[(2-phenylcyclopropanecarbonyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 123729437
2-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 139582810
2-(4-tert-butylphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 5096630
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064
2-(4-chlorophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 139582805
N-[5-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 155943044
cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
CID 40650433
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 795327
cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 95979513
cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (CID 843555) is cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is CC(C)(C)Cc1nnc(NC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)s1.
What is the InChIKey of cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is UROWBTAOEQYJAP-STQMWFEESA-N. The full InChI is InChI=1S/C17H20ClN3OS/c1-17(2,3)9-14-20-21-16(23-14)19-15(22)13-8-12(13)10-4-6-11(18)7-5-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,21,22)/t12-,13-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 349.89 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-chlorophenyl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 843555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).