1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone

C19H23N3O2S — CID 158474790

IUPAC1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
SMILESCOc1ccc(C2CC2NCC2CC2)cc1C(=O)Cc1nnc(C)s1
InChIInChI=1S/C19H23N3O2S/c1-11-21-22-19(25-11)9-17(23)15-7-13(5-6-18(15)24-2)14-8-16(14)20-10-12-3-4-12/h5-7,12,14,16,20H,3-4,8-10H2,1-2H3
InChIKeyHGULMXNTNYFSBO-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.14
Rot. Bonds8

About 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone

1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone (PubChem CID 158474790) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
PubChem CID158474790
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
SMILESCOc1ccc(C2CC2NCC2CC2)cc1C(=O)Cc1nnc(C)s1
InChIInChI=1S/C19H23N3O2S/c1-11-21-22-19(25-11)9-17(23)15-7-13(5-6-18(15)24-2)14-8-16(14)20-10-12-3-4-12/h5-7,12,14,16,20H,3-4,8-10H2,1-2H3
InChIKeyHGULMXNTNYFSBO-UHFFFAOYSA-N
XLogP3.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone with MolForge

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Related Compounds

3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 118304346
5-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
CID 118304610
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanone
CID 115789523
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
CID 160904336
5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(oxan-4-yl)thiophene-3-carboxamide;hydrochloride
CID 118433146
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 147385528
1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786541
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 106121802
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone?
The IUPAC name of 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone (CID 158474790) is 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone.
What is the SMILES notation for 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone?
The canonical SMILES for 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone is COc1ccc(C2CC2NCC2CC2)cc1C(=O)Cc1nnc(C)s1.
What is the InChIKey of 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone?
The InChIKey is HGULMXNTNYFSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-11-21-22-19(25-11)9-17(23)15-7-13(5-6-18(15)24-2)14-8-16(14)20-10-12-3-4-12/h5-7,12,14,16,20H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone?
1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone has a molecular weight of 357.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone is sourced from PubChem (CID 158474790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).