cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide

C16H13FN4OS — CID 138504770

IUPACcis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cnc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1
InChIInChI=1S/C16H13FN4OS/c1-8-2-3-18-7-11(8)9-4-13-14(19-6-9)20-16(23-13)21-15(22)10-5-12(10)17/h2-4,6-7,10,12H,5H2,1H3,(H,19,20,21,22)/t10-,12+/m1/s1
InChIKeyOKMWXOYIGNTKPN-PWSUYJOCSA-N
MW328.37 g/mol
LogP3.36
Rot. Bonds3

About cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 138504770) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID138504770
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Namecis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cnc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1
InChIInChI=1S/C16H13FN4OS/c1-8-2-3-18-7-11(8)9-4-13-14(19-6-9)20-16(23-13)21-15(22)10-5-12(10)17/h2-4,6-7,10,12H,5H2,1H3,(H,19,20,21,22)/t10-,12+/m1/s1
InChIKeyOKMWXOYIGNTKPN-PWSUYJOCSA-N
XLogP3.36
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2R)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138513826
trans-(1R,2R)-2-hydroxy-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138513937
N-[6-(4-bromo-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 138504663
cis-(1R,2R)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115022
[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-1,3-benzothiazol-6-yl]-4-methyl-2-pyridinyl]-trimethylazanium
CID 162366660
2-fluoro-N-[6-(3-methylpyrazin-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138504590
tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid
CID 155069538
cis-(1S,2S)-2-fluoro-N-methyl-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138504710
cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138504758
N-[1-ethyl-3-(4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 166123847
2-fluoro-N-[6-(7-methyl-1H-indazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138504742
2-fluoro-N-[6-(5-methyl-1H-imidazol-2-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138504685

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide (CID 138504770) is cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide is Cc1ccncc1-c1cnc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is OKMWXOYIGNTKPN-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H13FN4OS/c1-8-2-3-18-7-11(8)9-4-13-14(19-6-9)20-16(23-13)21-15(22)10-5-12(10)17/h2-4,6-7,10,12H,5H2,1H3,(H,19,20,21,22)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138504770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).