N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide

C20H23FN6O2S — CID 123917140

IUPACN-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccnc1-c1nc(C(=O)NC2C=NN=C(C3CCC(N)C(F)CO3)C2)cs1
InChIInChI=1S/C20H23FN6O2S/c1-11-3-2-6-23-18(11)20-26-16(10-30-20)19(28)25-12-7-15(27-24-8-12)17-5-4-14(22)13(21)9-29-17/h2-3,6,8,10,12-14,17H,4-5,7,9,22H2,1H3,(H,25,28)
InChIKeySAVLVQSMLPBMSL-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.29
Rot. Bonds4

About N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide

N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 123917140) has the molecular formula C20H23FN6O2S and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID123917140
Molecular FormulaC20H23FN6O2S
Molecular Weight430.51 g/mol
Exact Mass430.16
IUPAC NameN-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccnc1-c1nc(C(=O)NC2C=NN=C(C3CCC(N)C(F)CO3)C2)cs1
InChIInChI=1S/C20H23FN6O2S/c1-11-3-2-6-23-18(11)20-26-16(10-30-20)19(28)25-12-7-15(27-24-8-12)17-5-4-14(22)13(21)9-29-17/h2-3,6,8,10,12-14,17H,4-5,7,9,22H2,1H3,(H,25,28)
InChIKeySAVLVQSMLPBMSL-UHFFFAOYSA-N
XLogP2.29
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[(2S,5R)-5-aminooxepan-2-yl]-1H-pyrazol-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 146243154
N-[5-[(2S,5R,6R)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86713901
N-[3-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-5-methyl-1H-pyrazol-4-yl]-2-(5-methoxy-3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 118385164
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-imidazo[1,2-a]pyrazin-6-yl-1,3-thiazole-4-carboxamide
CID 118385206
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 90072520
[[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]amino]-[2-(3-fluoro-2-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 134387640
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90072744
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 118385175
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 154244464
N-[3-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-5-methyl-1H-pyrazol-4-yl]-2-(2-fluoro-6-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 136934024
N-[5-[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]-1-methylpyrazol-4-yl]-2-(5-cyclopropyl-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 90072761
N-[5-[[(2S,5R,6S)-5-amino-6-fluorooxepan-2-yl]methyl]-1H-pyrazol-4-yl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 118270666

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (CID 123917140) is N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cccnc1-c1nc(C(=O)NC2C=NN=C(C3CCC(N)C(F)CO3)C2)cs1.
What is the InChIKey of N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SAVLVQSMLPBMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2S/c1-11-3-2-6-23-18(11)20-26-16(10-30-20)19(28)25-12-7-15(27-24-8-12)17-5-4-14(22)13(21)9-29-17/h2-3,6,8,10,12-14,17H,4-5,7,9,22H2,1H3,(H,25,28).
What are the key properties of N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-amino-6-fluorooxepan-2-yl)-4,5-dihydropyridazin-4-yl]-2-(3-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123917140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).