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

C16H13FN4OS — CID 164628719

IUPACcis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2n1
InChIInChI=1S/C16H13FN4OS/c1-8-4-5-18-7-10(8)12-2-3-13-15(19-12)23-16(20-13)21-14(22)9-6-11(9)17/h2-5,7,9,11H,6H2,1H3,(H,20,21,22)/t9-,11+/m1/s1
InChIKeyIGTMUYRFBOBNSY-KOLCDFICSA-N
MW328.37 g/mol
LogP3.36
Rot. Bonds3

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

cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 164628719) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID164628719
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Namecis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2n1
InChIInChI=1S/C16H13FN4OS/c1-8-4-5-18-7-10(8)12-2-3-13-15(19-12)23-16(20-13)21-14(22)9-6-11(9)17/h2-5,7,9,11H,6H2,1H3,(H,20,21,22)/t9-,11+/m1/s1
InChIKeyIGTMUYRFBOBNSY-KOLCDFICSA-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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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide (CID 164628719) is cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide is Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2n1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is IGTMUYRFBOBNSY-KOLCDFICSA-N. The full InChI is InChI=1S/C16H13FN4OS/c1-8-4-5-18-7-10(8)12-2-3-13-15(19-12)23-16(20-13)21-14(22)9-6-11(9)17/h2-5,7,9,11H,6H2,1H3,(H,20,21,22)/t9-,11+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-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-[5-(4-methyl-3-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164628719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).