N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide

C18H15F2N5OS — CID 137495483

IUPACN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2c(s1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1N)C2
InChIInChI=1S/C18H15F2N5OS/c1-9-22-15-7-25(8-16(15)27-9)18(26)24-17-13(21)4-5-14(23-17)11-3-2-10(19)6-12(11)20/h2-6H,7-8,21H2,1H3,(H,23,24,26)
InChIKeyMCOVSZOJAIYMSB-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.92
Rot. Bonds2

About N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide

N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide (PubChem CID 137495483) has the molecular formula C18H15F2N5OS and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide
PubChem CID137495483
Molecular FormulaC18H15F2N5OS
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC NameN-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2c(s1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1N)C2
InChIInChI=1S/C18H15F2N5OS/c1-9-22-15-7-25(8-16(15)27-9)18(26)24-17-13(21)4-5-14(23-17)11-3-2-10(19)6-12(11)20/h2-6H,7-8,21H2,1H3,(H,23,24,26)
InChIKeyMCOVSZOJAIYMSB-UHFFFAOYSA-N
XLogP3.92
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide (CID 137495483) is N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide is Cc1nc2c(s1)CN(C(=O)Nc1nc(-c3ccc(F)cc3F)ccc1N)C2.
What is the InChIKey of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide?
The InChIKey is MCOVSZOJAIYMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5OS/c1-9-22-15-7-25(8-16(15)27-9)18(26)24-17-13(21)4-5-14(23-17)11-3-2-10(19)6-12(11)20/h2-6H,7-8,21H2,1H3,(H,23,24,26).
What are the key properties of N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide?
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 137495483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).