N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

C17H22N4OS — CID 46985384

IUPACN-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCc1cnn(C(C)C2CC2)c1NC(=O)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H22N4OS/c1-10-9-18-21(11(2)12-7-8-12)15(10)20-16(22)17-19-13-5-3-4-6-14(13)23-17/h9,11-12H,3-8H2,1-2H3,(H,20,22)
InChIKeyDOLMPUWMIPZZCJ-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (PubChem CID 46985384) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
PubChem CID46985384
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCc1cnn(C(C)C2CC2)c1NC(=O)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H22N4OS/c1-10-9-18-21(11(2)12-7-8-12)15(10)20-16(22)17-19-13-5-3-4-6-14(13)23-17/h9,11-12H,3-8H2,1-2H3,(H,20,22)
InChIKeyDOLMPUWMIPZZCJ-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea
CID 97433882
5-propan-2-yl-1-pyridin-2-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-4-carboxamide
CID 46427351
2,5-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
CID 16952691
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pentanamide
CID 46699328
2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 86768177
2-(2-methylphenyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide
CID 112838644
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-3-(4-methylpyrazol-1-yl)propanamide
CID 86832668
(2R)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 37072032
N-[4-(3-oxo-2H-isoquinolin-4-yl)phenyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
CID 90285051
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 17191257

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (CID 46985384) is N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is Cc1cnn(C(C)C2CC2)c1NC(=O)c1nc2c(s1)CCCC2.
What is the InChIKey of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is DOLMPUWMIPZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-10-9-18-21(11(2)12-7-8-12)15(10)20-16(22)17-19-13-5-3-4-6-14(13)23-17/h9,11-12H,3-8H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 46985384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).