1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide

C17H20N2OS — CID 75495083

IUPAC1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C17H20N2OS/c1-19(11-15-12-21-13-18-15)16(20)17(8-5-9-17)10-14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3
InChIKeyTZFPMJBDXVZLHF-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.51
Rot. Bonds5

About 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide

1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 75495083) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide
PubChem CID75495083
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide
SMILESCN(Cc1cscn1)C(=O)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C17H20N2OS/c1-19(11-15-12-21-13-18-15)16(20)17(8-5-9-17)10-14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3
InChIKeyTZFPMJBDXVZLHF-UHFFFAOYSA-N
XLogP3.51
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid
CID 119346553
1-(4-aminophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 115913584
N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 55164319
2-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 83071366
2-[2-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-oxoethyl]benzoic acid
CID 115923742
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-1-carboxamide
CID 115592952
2-[2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182649
1-methyl-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(1,3-thiazol-4-ylmethyl)urea
CID 124584937
2-(1-methoxycyclobutyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]acetic acid
CID 167955036
2,2,2-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 62729172
1-(methoxymethyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]cyclobutane-1-carboxamide
CID 50976742
(2R)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 78974670

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide (CID 75495083) is 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide is CN(Cc1cscn1)C(=O)C1(Cc2ccccc2)CCC1.
What is the InChIKey of 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is TZFPMJBDXVZLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-19(11-15-12-21-13-18-15)16(20)17(8-5-9-17)10-14-6-3-2-4-7-14/h2-4,6-7,12-13H,5,8-11H2,1H3.
What are the key properties of 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide?
1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 75495083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).