N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide

C16H16N4OS — CID 163308250

IUPACN-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc2ncsc12)C1(Cn2cccn2)CC1
InChIInChI=1S/C16H16N4OS/c21-15(16(5-6-16)10-20-8-2-7-19-20)17-9-12-3-1-4-13-14(12)22-11-18-13/h1-4,7-8,11H,5-6,9-10H2,(H,17,21)
InChIKeyUYTDQOZGDBYIAE-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.59
Rot. Bonds5

About N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide

N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 163308250) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
PubChem CID163308250
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccc2ncsc12)C1(Cn2cccn2)CC1
InChIInChI=1S/C16H16N4OS/c21-15(16(5-6-16)10-20-8-2-7-19-20)17-9-12-3-1-4-13-14(12)22-11-18-13/h1-4,7-8,11H,5-6,9-10H2,(H,17,21)
InChIKeyUYTDQOZGDBYIAE-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide
CID 56743555
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 56878713
N-(1,3-benzothiazol-7-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide
CID 163305092
N-(1,3-benzothiazol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 163307495
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17491209
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide
CID 24612713
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
N-(1,3-benzothiazol-7-ylmethyl)-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172673887
1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 30897900
2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
2-(furan-2-yl)-2-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91774286
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86841729

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide (CID 163308250) is N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1cccc2ncsc12)C1(Cn2cccn2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is UYTDQOZGDBYIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(16(5-6-16)10-20-8-2-7-19-20)17-9-12-3-1-4-13-14(12)22-11-18-13/h1-4,7-8,11H,5-6,9-10H2,(H,17,21).
What are the key properties of N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide?
N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-7-ylmethyl)-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 163308250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).