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

C17H19N3OS — CID 118305136

IUPAC3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C17H19N3OS/c21-16(20-17-18-6-7-22-17)13-3-1-2-12(8-13)14-9-15(14)19-10-11-4-5-11/h1-3,6-8,11,14-15,19H,4-5,9-10H2,(H,18,20,21)
InChIKeyZLICYELXQCEDNS-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.25
Rot. Bonds6

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

3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 118305136) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID118305136
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(C2CC2NCC2CC2)c1
InChIInChI=1S/C17H19N3OS/c21-16(20-17-18-6-7-22-17)13-3-1-2-12(8-13)14-9-15(14)19-10-11-4-5-11/h1-3,6-8,11,14-15,19H,4-5,9-10H2,(H,18,20,21)
InChIKeyZLICYELXQCEDNS-UHFFFAOYSA-N
XLogP3.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-2-Thiazolylbenzamide
CID 569547
4-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
N-(1,3-Thiazol-2-YL)-1-naphthamide
CID 686200
N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 780357
Propionamide, 2-(4-isobutylphenyl)-N-(2-thiazolyl)-
CID 3042319
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 2559025
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
2-fluoro-N-[3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 4799453
4-(3-methylbutyrylamino)-N-thiazol-2-ylbenzamide
CID 3463042

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide (CID 118305136) is 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cccc(C2CC2NCC2CC2)c1.
What is the InChIKey of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is ZLICYELXQCEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c21-16(20-17-18-6-7-22-17)13-3-1-2-12(8-13)14-9-15(14)19-10-11-4-5-11/h1-3,6-8,11,14-15,19H,4-5,9-10H2,(H,18,20,21).
What are the key properties of 3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide?
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 313.43 g/mol, XLogP of 3.25, 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-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 118305136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).