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

C18H21N3OS — CID 118304489

IUPAC3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C3CC3NCC3CC3)c2)s1
InChIInChI=1S/C18H21N3OS/c1-11-19-10-17(23-11)21-18(22)14-4-2-3-13(7-14)15-8-16(15)20-9-12-5-6-12/h2-4,7,10,12,15-16,20H,5-6,8-9H2,1H3,(H,21,22)
InChIKeyYIHVRIQQNZMQPS-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.56
Rot. Bonds6

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

3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (PubChem CID 118304489) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
PubChem CID118304489
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C3CC3NCC3CC3)c2)s1
InChIInChI=1S/C18H21N3OS/c1-11-19-10-17(23-11)21-18(22)14-4-2-3-13(7-14)15-8-16(15)20-9-12-5-6-12/h2-4,7,10,12,15-16,20H,5-6,8-9H2,1H3,(H,21,22)
InChIKeyYIHVRIQQNZMQPS-UHFFFAOYSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,5-dimethylbenzoyl)amino]-2-methyl-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 23629682
N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304877
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
N-[1-(dimethylamino)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 25167491
N-butan-2-yl-3-(4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 59432567
3-(trans-2-(cyclobutyl-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 117886275
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
3-(trans-2-((cyclopropyl-methyl)amino)cyclo-propyl)-N-(1,3-thiazol-2-yl)benzamide trifluoroacetate
CID 118305136
3-(3-hydroxy-3-methylbutyl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 70743381
3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71984321

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide (CID 118304489) is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide is Cc1ncc(NC(=O)c2cccc(C3CC3NCC3CC3)c2)s1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
The InChIKey is YIHVRIQQNZMQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-11-19-10-17(23-11)21-18(22)14-4-2-3-13(7-14)15-8-16(15)20-9-12-5-6-12/h2-4,7,10,12,15-16,20H,5-6,8-9H2,1H3,(H,21,22).
What are the key properties of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide?
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide has a molecular weight of 327.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 118304489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).