N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C18H16N6O2S — CID 164547933

IUPACN-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(N)cnc3C)c2s1
InChIInChI=1S/C18H16N6O2S/c1-10-14(6-11(19)7-21-10)23-16(25)13-8-22-24-9-15(27-18(13)24)12-4-3-5-20-17(12)26-2/h3-9H,19H2,1-2H3,(H,23,25)
InChIKeyONVCBCVXTCTEIK-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.00
Rot. Bonds4

About N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547933) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547933
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC NameN-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCOc1ncccc1-c1cn2ncc(C(=O)Nc3cc(N)cnc3C)c2s1
InChIInChI=1S/C18H16N6O2S/c1-10-14(6-11(19)7-21-10)23-16(25)13-8-22-24-9-15(27-18(13)24)12-4-3-5-20-17(12)26-2/h3-9H,19H2,1-2H3,(H,23,25)
InChIKeyONVCBCVXTCTEIK-UHFFFAOYSA-N
XLogP3.00
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547933) is N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(N)cnc3C)c2s1.
What is the InChIKey of N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is ONVCBCVXTCTEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-10-14(6-11(19)7-21-10)23-16(25)13-8-22-24-9-15(27-18(13)24)12-4-3-5-20-17(12)26-2/h3-9H,19H2,1-2H3,(H,23,25).
What are the key properties of N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).