N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide

C22H28N4OS — CID 71852307

IUPACN-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide
SMILESCN(c1nc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cs1)C1CC1
InChIInChI=1S/C22H28N4OS/c1-25(19-8-9-19)22-24-18(14-28-22)13-26(20-10-11-20)12-15-2-4-16(5-3-15)21(27)23-17-6-7-17/h2-5,14,17,19-20H,6-13H2,1H3,(H,23,27)
InChIKeyHHJNZIQUWHVHNQ-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.80
Rot. Bonds9

About N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide (PubChem CID 71852307) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide
PubChem CID71852307
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide
SMILESCN(c1nc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cs1)C1CC1
InChIInChI=1S/C22H28N4OS/c1-25(19-8-9-19)22-24-18(14-28-22)13-26(20-10-11-20)12-15-2-4-16(5-3-15)21(27)23-17-6-7-17/h2-5,14,17,19-20H,6-13H2,1H3,(H,23,27)
InChIKeyHHJNZIQUWHVHNQ-UHFFFAOYSA-N
XLogP3.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide with MolForge

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Related Compounds

4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
N-cyclopropyl-4-[[cyclopropyl-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 78847973
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide
CID 38392360
4-[[(5-tert-butyl-2,3-dihydroxyphenyl)methyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34897257
4-(chloromethyl)-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine;hydrochloride
CID 71755793
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
4-[[(2-bromo-3,4-dimethoxyphenyl)methyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55915439
2-(4-chlorophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46565883
4-cyano-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 154840868
N-[3-(dimethylamino)cyclopentyl]-4-ethylbenzamide
CID 75396929
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide (CID 71852307) is N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide is CN(c1nc(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cs1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide?
The InChIKey is HHJNZIQUWHVHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-25(19-8-9-19)22-24-18(14-28-22)13-26(20-10-11-20)12-15-2-4-16(5-3-15)21(27)23-17-6-7-17/h2-5,14,17,19-20H,6-13H2,1H3,(H,23,27).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide has a molecular weight of 396.56 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]amino]methyl]benzamide is sourced from PubChem (CID 71852307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).