N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

C20H20N6O4S — CID 164547649

IUPACN-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
SMILESCc1ncc(C(N)=O)cc1NC(=O)c1cnn2cc(-c3ccc4oc(=O)[nH]c4c3)sc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C20H14N6O4S.3H2/c1-9-13(5-11(6-22-9)17(21)27)24-18(28)12-7-23-26-8-16(31-19(12)26)10-2-3-15-14(4-10)25-20(29)30-15;;;/h2-8H,1H3,(H2,21,27)(H,24,28)(H,25,29);3*1H
InChIKeySYFYTZZIVIKOTC-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.29
Rot. Bonds4

About N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (PubChem CID 164547649) has the molecular formula C20H20N6O4S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
PubChem CID164547649
Molecular FormulaC20H20N6O4S
Molecular Weight440.49 g/mol
Exact Mass440.13
IUPAC NameN-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
SMILESCc1ncc(C(N)=O)cc1NC(=O)c1cnn2cc(-c3ccc4oc(=O)[nH]c4c3)sc12.[H][H].[H][H].[H][H]
InChIInChI=1S/C20H14N6O4S.3H2/c1-9-13(5-11(6-22-9)17(21)27)24-18(28)12-7-23-26-8-16(31-19(12)26)10-2-3-15-14(4-10)25-20(29)30-15;;;/h2-8H,1H3,(H2,21,27)(H,24,28)(H,25,29);3*1H
InChIKeySYFYTZZIVIKOTC-UHFFFAOYSA-N
XLogP3.29
TPSA148.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The IUPAC name of N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (CID 164547649) is N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The canonical SMILES for N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is Cc1ncc(C(N)=O)cc1NC(=O)c1cnn2cc(-c3ccc4oc(=O)[nH]c4c3)sc12.[H][H].[H][H].[H][H].
What is the InChIKey of N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
The InChIKey is SYFYTZZIVIKOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O4S.3H2/c1-9-13(5-11(6-22-9)17(21)27)24-18(28)12-7-23-26-8-16(31-19(12)26)10-2-3-15-14(4-10)25-20(29)30-15;;;/h2-8H,1H3,(H2,21,27)(H,24,28)(H,25,29);3*1H.
What are the key properties of N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?
N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen has a molecular weight of 440.49 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methyl-3-pyridinyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 164547649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).