5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole

C19H20N4O2S — CID 71488705

IUPAC5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnc(C)s2)nc1
InChIInChI=1S/C19H20N4O2S/c1-11-20-8-16(18-9-21-12(2)26-18)19(23-11)25-10-13-6-15(13)17-5-4-14(24-3)7-22-17/h4-5,7-9,13,15H,6,10H2,1-3H3/t13-,15+/m1/s1
InChIKeyPGQKSICIVWJBGU-HIFRSBDPSA-N
MW368.46 g/mol
LogP3.80
Rot. Bonds6

About 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole

5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole (PubChem CID 71488705) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
PubChem CID71488705
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnc(C)s2)nc1
InChIInChI=1S/C19H20N4O2S/c1-11-20-8-16(18-9-21-12(2)26-18)19(23-11)25-10-13-6-15(13)17-5-4-14(24-3)7-22-17/h4-5,7-9,13,15H,6,10H2,1-3H3/t13-,15+/m1/s1
InChIKeyPGQKSICIVWJBGU-HIFRSBDPSA-N
XLogP3.80
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole (CID 71488705) is 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cnc(C)s2)nc1.
What is the InChIKey of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole?
The InChIKey is PGQKSICIVWJBGU-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11-20-8-16(18-9-21-12(2)26-18)19(23-11)25-10-13-6-15(13)17-5-4-14(24-3)7-22-17/h4-5,7-9,13,15H,6,10H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole?
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole has a molecular weight of 368.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 71488705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).