N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C20H23N5OS — CID 138383058

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCc3sc(-c4ccncc4)nc3C2)n1
InChIInChI=1S/C20H23N5OS/c1-13-11-14(2)25(24-13)10-9-22-19(26)16-3-4-18-17(12-16)23-20(27-18)15-5-7-21-8-6-15/h5-8,11,16H,3-4,9-10,12H2,1-2H3,(H,22,26)
InChIKeyHPRLOZFSARZBMW-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.94
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138383058) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138383058
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCc3sc(-c4ccncc4)nc3C2)n1
InChIInChI=1S/C20H23N5OS/c1-13-11-14(2)25(24-13)10-9-22-19(26)16-3-4-18-17(12-16)23-20(27-18)15-5-7-21-8-6-15/h5-8,11,16H,3-4,9-10,12H2,1-2H3,(H,22,26)
InChIKeyHPRLOZFSARZBMW-UHFFFAOYSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138382033
N-[(5,6-dimethyl-3-pyridinyl)methyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138378744
2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138379319
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203403
N-(2-phenylethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203428
N-(4-aminocyclohexyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138380021
N-[2-(2-methoxyphenyl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203432
N-(3-hydroxypropyl)-N-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138381472
N-(cyclobutylmethyl)-N-methyl-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138386516
N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
CID 138380305
N-(5-methyl-1,2-oxazol-3-yl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203522
[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methanone;hydrochloride
CID 154921909

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138383058) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is Cc1cc(C)n(CCNC(=O)C2CCc3sc(-c4ccncc4)nc3C2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is HPRLOZFSARZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-13-11-14(2)25(24-13)10-9-22-19(26)16-3-4-18-17(12-16)23-20(27-18)15-5-7-21-8-6-15/h5-8,11,16H,3-4,9-10,12H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138383058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).