5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C15H17N5O2S — CID 138020919

IUPAC5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc2nc(CNc3[nH]ncc3C(=O)N(C)C)sc2c1
InChIInChI=1S/C15H17N5O2S/c1-20(2)15(21)10-7-17-19-14(10)16-8-13-18-11-5-4-9(22-3)6-12(11)23-13/h4-7H,8H2,1-3H3,(H2,16,17,19)
InChIKeyWMKSJLCBSSWOMS-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.34
Rot. Bonds5

About 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 138020919) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID138020919
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc2nc(CNc3[nH]ncc3C(=O)N(C)C)sc2c1
InChIInChI=1S/C15H17N5O2S/c1-20(2)15(21)10-7-17-19-14(10)16-8-13-18-11-5-4-9(22-3)6-12(11)23-13/h4-7H,8H2,1-3H3,(H2,16,17,19)
InChIKeyWMKSJLCBSSWOMS-UHFFFAOYSA-N
XLogP2.34
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]aniline
CID 79511098
N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843648
6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651
(2S)-2-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]hexanoic acid
CID 120511784
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)propanoate
CID 146663754
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
1-ethyl-3-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylurea
CID 115603712
methyl 3-[(6-methoxy-1,3-benzothiazol-2-yl)amino]propanoate
CID 79518052
(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 38283573
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-(methoxymethyl)urea
CID 110676070

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 138020919) is 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide is COc1ccc2nc(CNc3[nH]ncc3C(=O)N(C)C)sc2c1.
What is the InChIKey of 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is WMKSJLCBSSWOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-20(2)15(21)10-7-17-19-14(10)16-8-13-18-11-5-4-9(22-3)6-12(11)23-13/h4-7H,8H2,1-3H3,(H2,16,17,19).
What are the key properties of 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-1,3-benzothiazol-2-yl)methylamino]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 138020919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).