N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide

C22H22N4OS — CID 71260560

IUPACN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide
SMILESO=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C22H22N4OS/c27-22(17-5-3-16(4-6-17)21-13-28-26-25-21)24-18-9-7-15(8-10-18)19-11-20(19)23-12-14-1-2-14/h3-10,13-14,19-20,23H,1-2,11-12H2,(H,24,27)
InChIKeyJJHNABWFLGGONZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.31
Rot. Bonds7

About N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide

N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide (PubChem CID 71260560) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide
PubChem CID71260560
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide
SMILESO=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1ccc(-c2csnn2)cc1
InChIInChI=1S/C22H22N4OS/c27-22(17-5-3-16(4-6-17)21-13-28-26-25-21)24-18-9-7-15(8-10-18)19-11-20(19)23-12-14-1-2-14/h3-10,13-14,19-20,23H,1-2,11-12H2,(H,24,27)
InChIKeyJJHNABWFLGGONZ-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-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

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
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
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90213944
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide
CID 71260515
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide (CID 71260560) is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide is O=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1ccc(-c2csnn2)cc1.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide?
The InChIKey is JJHNABWFLGGONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c27-22(17-5-3-16(4-6-17)21-13-28-26-25-21)24-18-9-7-15(8-10-18)19-11-20(19)23-12-14-1-2-14/h3-10,13-14,19-20,23H,1-2,11-12H2,(H,24,27).
What are the key properties of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide?
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide is sourced from PubChem (CID 71260560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).