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

C18H21N3OS — CID 118304979

IUPAC3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C3CC3NCC3CC3)c2)sn1
InChIInChI=1S/C18H21N3OS/c1-11-7-17(23-21-11)20-18(22)14-4-2-3-13(8-14)15-9-16(15)19-10-12-5-6-12/h2-4,7-8,12,15-16,19H,5-6,9-10H2,1H3,(H,20,22)
InChIKeySSQWSDFSAOXIHN-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.56
Rot. Bonds6

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

3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide (PubChem CID 118304979) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide
PubChem CID118304979
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C3CC3NCC3CC3)c2)sn1
InChIInChI=1S/C18H21N3OS/c1-11-7-17(23-21-11)20-18(22)14-4-2-3-13(8-14)15-9-16(15)19-10-12-5-6-12/h2-4,7-8,12,15-16,19H,5-6,9-10H2,1H3,(H,20,22)
InChIKeySSQWSDFSAOXIHN-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide?
The IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide (CID 118304979) is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide is Cc1cc(NC(=O)c2cccc(C3CC3NCC3CC3)c2)sn1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide?
The InChIKey is SSQWSDFSAOXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-11-7-17(23-21-11)20-18(22)14-4-2-3-13(8-14)15-9-16(15)19-10-12-5-6-12/h2-4,7-8,12,15-16,19H,5-6,9-10H2,1H3,(H,20,22).
What are the key properties of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-thiazol-5-yl)benzamide?
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3-methyl-1,2-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-(3-methyl-1,2-thiazol-5-yl)benzamide is sourced from PubChem (CID 118304979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).