5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide

C18H15N5O3S — CID 51998968

IUPAC5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(NC(=O)c4ccco4)n(C)n3)cc2s1
InChIInChI=1S/C18H15N5O3S/c1-10-19-12-6-5-11(8-15(12)27-10)20-17(24)13-9-16(23(2)22-13)21-18(25)14-4-3-7-26-14/h3-9H,1-2H3,(H,20,24)(H,21,25)
InChIKeyMERZJIIWDSBXRW-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.44
Rot. Bonds4

About 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide

5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide (PubChem CID 51998968) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide
PubChem CID51998968
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide
SMILESCc1nc2ccc(NC(=O)c3cc(NC(=O)c4ccco4)n(C)n3)cc2s1
InChIInChI=1S/C18H15N5O3S/c1-10-19-12-6-5-11(8-15(12)27-10)20-17(24)13-9-16(23(2)22-13)21-18(25)14-4-3-7-26-14/h3-9H,1-2H3,(H,20,24)(H,21,25)
InChIKeyMERZJIIWDSBXRW-UHFFFAOYSA-N
XLogP3.44
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 51998966
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 51999123
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340
5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999001
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
6-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 61042126
N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide (CID 51998968) is 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide is Cc1nc2ccc(NC(=O)c3cc(NC(=O)c4ccco4)n(C)n3)cc2s1.
What is the InChIKey of 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide?
The InChIKey is MERZJIIWDSBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-10-19-12-6-5-11(8-15(12)27-10)20-17(24)13-9-16(23(2)22-13)21-18(25)14-4-3-7-26-14/h3-9H,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide?
5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-1-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 51998968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).