5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole

C21H21ClN2OS — CID 68854019

IUPAC5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole
SMILESCc1c(-c2ncc(-c3cnc(OC(C)C)c(Cl)c3)s2)ccc2c1CCC2
InChIInChI=1S/C21H21ClN2OS/c1-12(2)25-20-18(22)9-15(10-23-20)19-11-24-21(26-19)17-8-7-14-5-4-6-16(14)13(17)3/h7-12H,4-6H2,1-3H3
InChIKeyBFKFLRZEHDLQGI-UHFFFAOYSA-N
MW384.93 g/mol
LogP6.11
Rot. Bonds4

About 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole

5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole (PubChem CID 68854019) has the molecular formula C21H21ClN2OS and a molecular weight of 384.93 g/mol. Its IUPAC name is 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole
PubChem CID68854019
Molecular FormulaC21H21ClN2OS
Molecular Weight384.93 g/mol
Exact Mass384.11
IUPAC Name5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole
SMILESCc1c(-c2ncc(-c3cnc(OC(C)C)c(Cl)c3)s2)ccc2c1CCC2
InChIInChI=1S/C21H21ClN2OS/c1-12(2)25-20-18(22)9-15(10-23-20)19-11-24-21(26-19)17-8-7-14-5-4-6-16(14)13(17)3/h7-12H,4-6H2,1-3H3
InChIKeyBFKFLRZEHDLQGI-UHFFFAOYSA-N
XLogP6.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.93
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole?
The IUPAC name of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole (CID 68854019) is 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole.
What is the SMILES notation for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole?
The canonical SMILES for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole is Cc1c(-c2ncc(-c3cnc(OC(C)C)c(Cl)c3)s2)ccc2c1CCC2.
What is the InChIKey of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole?
The InChIKey is BFKFLRZEHDLQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2OS/c1-12(2)25-20-18(22)9-15(10-23-20)19-11-24-21(26-19)17-8-7-14-5-4-6-16(14)13(17)3/h7-12H,4-6H2,1-3H3.
What are the key properties of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole?
5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole has a molecular weight of 384.93 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-(4-methyl-2,3-dihydro-1H-inden-5-yl)-1,3-thiazole is sourced from PubChem (CID 68854019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).