N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide

C16H16N4OS — CID 56743555

IUPACN-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCC1(Cn2cccn2)CC1)c1ccc2scnc2c1
InChIInChI=1S/C16H16N4OS/c21-15(12-2-3-14-13(8-12)18-11-22-14)17-9-16(4-5-16)10-20-7-1-6-19-20/h1-3,6-8,11H,4-5,9-10H2,(H,17,21)
InChIKeyRTYCQWYOAFACIW-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.70
Rot. Bonds5

About N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide

N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide (PubChem CID 56743555) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide
PubChem CID56743555
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide
SMILESO=C(NCC1(Cn2cccn2)CC1)c1ccc2scnc2c1
InChIInChI=1S/C16H16N4OS/c21-15(12-2-3-14-13(8-12)18-11-22-14)17-9-16(4-5-16)10-20-7-1-6-19-20/h1-3,6-8,11H,4-5,9-10H2,(H,17,21)
InChIKeyRTYCQWYOAFACIW-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 91762623
2-methoxy-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 122568384
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17491209
1-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 30897900
3-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122559752
5-ethyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 122563230
N-[[1-(hydroxymethyl)cyclopropyl]methyl]quinoxaline-6-carboxamide
CID 80716840
2-(4-phenylphenyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 91779095
N-[(1-aminocycloheptyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 154577575
2-amino-6-methyl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-4-carboxamide
CID 56702160
5-propan-2-yl-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-oxazole-4-carboxamide
CID 122563952
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91783003

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide (CID 56743555) is N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide is O=C(NCC1(Cn2cccn2)CC1)c1ccc2scnc2c1.
What is the InChIKey of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide?
The InChIKey is RTYCQWYOAFACIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(12-2-3-14-13(8-12)18-11-22-14)17-9-16(4-5-16)10-20-7-1-6-19-20/h1-3,6-8,11H,4-5,9-10H2,(H,17,21).
What are the key properties of N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide?
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 56743555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).