N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C18H22N2OS — CID 77080296

IUPACN-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1cccc(CC2(NC(=O)CCc3scnc3C)CC2)c1
InChIInChI=1S/C18H22N2OS/c1-13-4-3-5-15(10-13)11-18(8-9-18)20-17(21)7-6-16-14(2)19-12-22-16/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,21)
InChIKeyYOAILABTUBBJOC-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.58
Rot. Bonds6

About N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 77080296) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID77080296
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCc1cccc(CC2(NC(=O)CCc3scnc3C)CC2)c1
InChIInChI=1S/C18H22N2OS/c1-13-4-3-5-15(10-13)11-18(8-9-18)20-17(21)7-6-16-14(2)19-12-22-16/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,21)
InChIKeyYOAILABTUBBJOC-UHFFFAOYSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 77080296) is N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is Cc1cccc(CC2(NC(=O)CCc3scnc3C)CC2)c1.
What is the InChIKey of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is YOAILABTUBBJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13-4-3-5-15(10-13)11-18(8-9-18)20-17(21)7-6-16-14(2)19-12-22-16/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,21).
What are the key properties of N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 314.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 77080296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).