N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide

C23H23N3OS — CID 71260515

IUPACN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H23N3OS/c27-22(23-26-21(14-28-23)17-4-2-1-3-5-17)25-18-10-8-16(9-11-18)19-12-20(19)24-13-15-6-7-15/h1-5,8-11,14-15,19-20,24H,6-7,12-13H2,(H,25,27)
InChIKeyJSSKEJYMBRVPMV-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.92
Rot. Bonds7

About N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide

N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide (PubChem CID 71260515) has the molecular formula C23H23N3OS and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide
PubChem CID71260515
Molecular FormulaC23H23N3OS
Molecular Weight389.52 g/mol
Exact Mass389.16
IUPAC NameN-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide
SMILESO=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H23N3OS/c27-22(23-26-21(14-28-23)17-4-2-1-3-5-17)25-18-10-8-16(9-11-18)19-12-20(19)24-13-15-6-7-15/h1-5,8-11,14-15,19-20,24H,6-7,12-13H2,(H,25,27)
InChIKeyJSSKEJYMBRVPMV-UHFFFAOYSA-N
XLogP4.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylthiophene-2-carboxamide
CID 90214106
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(thiadiazol-4-yl)benzamide
CID 71260560
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 71260518
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylmethoxybenzamide;hydrochloride
CID 90214183
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-methylbenzamide;hydrochloride
CID 90214407
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-3-(dimethylamino)benzamide
CID 90214000
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
CID 159581061

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide (CID 71260515) is N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide is O=C(Nc1ccc(C2CC2NCC2CC2)cc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide?
The InChIKey is JSSKEJYMBRVPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3OS/c27-22(23-26-21(14-28-23)17-4-2-1-3-5-17)25-18-10-8-16(9-11-18)19-12-20(19)24-13-15-6-7-15/h1-5,8-11,14-15,19-20,24H,6-7,12-13H2,(H,25,27).
What are the key properties of N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide?
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 71260515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).