3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C18H22N4O2S — CID 118304346

IUPAC3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C)s2)cc1C1CC1NCC1CC1
InChIInChI=1S/C18H22N4O2S/c1-10-21-22-18(25-10)20-17(23)12-5-6-16(24-2)14(7-12)13-8-15(13)19-9-11-3-4-11/h5-7,11,13,15,19H,3-4,8-9H2,1-2H3,(H,20,22,23)
InChIKeyYRIVEVVUNGRGRT-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.96
Rot. Bonds7

About 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 118304346) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID118304346
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(C)s2)cc1C1CC1NCC1CC1
InChIInChI=1S/C18H22N4O2S/c1-10-21-22-18(25-10)20-17(23)12-5-6-16(24-2)14(7-12)13-8-15(13)19-9-11-3-4-11/h5-7,11,13,15,19H,3-4,8-9H2,1-2H3,(H,20,22,23)
InChIKeyYRIVEVVUNGRGRT-UHFFFAOYSA-N
XLogP2.96
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methoxyphenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethanone
CID 158474790
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[(1R,2R)-2-[[1-(3-oxobutyl)piperidin-4-yl]methylamino]cyclopropyl]thiophene-3-carboxamide
CID 159364803
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304264
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]naphthalene-1-carboxamide
CID 118432647
cyclopropylmethyl-[(1R,2S)-2-[2-fluoro-5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304186
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-4-methyl-N-(oxan-4-yl)benzamide;hydrochloride
CID 118304183
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
5-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
CID 118304610
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-bromo-4-methoxybenzamide
CID 79513171

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 118304346) is 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nnc(C)s2)cc1C1CC1NCC1CC1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YRIVEVVUNGRGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-10-21-22-18(25-10)20-17(23)12-5-6-16(24-2)14(7-12)13-8-15(13)19-9-11-3-4-11/h5-7,11,13,15,19H,3-4,8-9H2,1-2H3,(H,20,22,23).
What are the key properties of 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 358.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethylamino)cyclopropyl]-4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 118304346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).