N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide

C19H23N3O2S — CID 118304877

IUPACN-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc([C@@H]3C[C@H]3NC3CCOCC3)c2)s1
InChIInChI=1S/C19H23N3O2S/c1-12-20-11-18(25-12)22-19(23)14-4-2-3-13(9-14)16-10-17(16)21-15-5-7-24-8-6-15/h2-4,9,11,15-17,21H,5-8,10H2,1H3,(H,22,23)/t16-,17+/m0/s1
InChIKeyJSKGRNMNSFBKJQ-DLBZAZTESA-N
MW357.48 g/mol
LogP3.33
Rot. Bonds5

About N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide

N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide (PubChem CID 118304877) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
PubChem CID118304877
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESCc1ncc(NC(=O)c2cccc([C@@H]3C[C@H]3NC3CCOCC3)c2)s1
InChIInChI=1S/C19H23N3O2S/c1-12-20-11-18(25-12)22-19(23)14-4-2-3-13(9-14)16-10-17(16)21-15-5-7-24-8-6-15/h2-4,9,11,15-17,21H,5-8,10H2,1H3,(H,22,23)/t16-,17+/m0/s1
InChIKeyJSKGRNMNSFBKJQ-DLBZAZTESA-N
XLogP3.33
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(trans-2-((4,4-difluorocyclohexyl)-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 118303965
3-(trans-2-((1-acetylpiperidin-4-yl)amino)cyclopropyl)-N-(2-(4-fluorophenyl)-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 118304404
3-(trans-2-(cyclobutyl-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 117886275
3-(trans-2-((cyclopropylmethyl)-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 118304489
N-(2-methyl-1,3-thiazol-5-yl)-3-(trans-2-((tetrahydro-2H-pyran-4-ylmethyl)amino)cyclo-propyl)benzamide dihydrochloride
CID 118304709
N-(2-methyl-1,3-thiazol-5-yl)-3-(trans-2-(tetrahydro-2H-pyran-4-ylamino)cyclopropyl)-benzamide dihydrochloride
CID 118304873
N-(2-methyl-1,3-thiazol-5-yl)-5-((1R,2R)-2-(tetrahydro-2H-pyran-4-ylamino)-cyclopropyl)thio-phene-3-carboxamide
CID 118432716
N-(2-methyl-1,3-thiazol-5-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118433057
N-(2-methyl-1,3-thiazol-5-yl)-5-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide
CID 131709607
N-(2-methyl-1,3-thiazol-5-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 131709610
3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71984321
3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 118303969

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide?
The IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide (CID 118304877) is N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide?
The canonical SMILES for N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide is Cc1ncc(NC(=O)c2cccc([C@@H]3C[C@H]3NC3CCOCC3)c2)s1.
What is the InChIKey of N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide?
The InChIKey is JSKGRNMNSFBKJQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-12-20-11-18(25-12)22-19(23)14-4-2-3-13(9-14)16-10-17(16)21-15-5-7-24-8-6-15/h2-4,9,11,15-17,21H,5-8,10H2,1H3,(H,22,23)/t16-,17+/m0/s1.
What are the key properties of N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide?
N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).