4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

C14H13ClN4O2S — CID 39855114

IUPAC4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2nc3ccc(OC)cc3s2)n1
InChIInChI=1S/C14H13ClN4O2S/c1-3-19-7-9(15)12(18-19)13(20)17-14-16-10-5-4-8(21-2)6-11(10)22-14/h4-7H,3H2,1-2H3,(H,16,17,20)
InChIKeyCNJKVYRPNPZBTG-UHFFFAOYSA-N
MW336.80 g/mol
LogP3.43
Rot. Bonds4

About 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 39855114) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
PubChem CID39855114
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2nc3ccc(OC)cc3s2)n1
InChIInChI=1S/C14H13ClN4O2S/c1-3-19-7-9(15)12(18-19)13(20)17-14-16-10-5-4-8(21-2)6-11(10)22-14/h4-7H,3H2,1-2H3,(H,16,17,20)
InChIKeyCNJKVYRPNPZBTG-UHFFFAOYSA-N
XLogP3.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263168
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[2-(4-methoxyphenyl)ethyl]benzamide
CID 91335241
1-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)triazole-4-carboxamide
CID 31031821
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 115603712
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
4-chloro-1-ethyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19263258
4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 24564369
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
4-chloro-1-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 999172

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide (CID 39855114) is 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2nc3ccc(OC)cc3s2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is CNJKVYRPNPZBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-3-19-7-9(15)12(18-19)13(20)17-14-16-10-5-4-8(21-2)6-11(10)22-14/h4-7H,3H2,1-2H3,(H,16,17,20).
What are the key properties of 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 336.80 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 39855114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).