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

C21H21ClN2OS — CID 141116459

IUPAC5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole
SMILESCc1cccc2c1CC[C@H]2c1ncc(-c2cnc(OC(C)C)c(Cl)c2)s1
InChIInChI=1S/C21H21ClN2OS/c1-12(2)25-20-18(22)9-14(10-23-20)19-11-24-21(26-19)17-8-7-15-13(3)5-4-6-16(15)17/h4-6,9-12,17H,7-8H2,1-3H3/t17-/m1/s1
InChIKeyNPZUJMSUHSQMKR-QGZVFWFLSA-N
MW384.93 g/mol
LogP6.03
Rot. Bonds4

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

5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole (PubChem CID 141116459) 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-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole
PubChem CID141116459
Molecular FormulaC21H21ClN2OS
Molecular Weight384.93 g/mol
Exact Mass384.11
IUPAC Name5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole
SMILESCc1cccc2c1CC[C@H]2c1ncc(-c2cnc(OC(C)C)c(Cl)c2)s1
InChIInChI=1S/C21H21ClN2OS/c1-12(2)25-20-18(22)9-14(10-23-20)19-11-24-21(26-19)17-8-7-15-13(3)5-4-6-16(15)17/h4-6,9-12,17H,7-8H2,1-3H3/t17-/m1/s1
InChIKeyNPZUJMSUHSQMKR-QGZVFWFLSA-N
XLogP6.03
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 ≤ 56.03
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-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole?
The IUPAC name of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole (CID 141116459) is 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole?
The canonical SMILES for 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole is Cc1cccc2c1CC[C@H]2c1ncc(-c2cnc(OC(C)C)c(Cl)c2)s1.
What is the InChIKey of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole?
The InChIKey is NPZUJMSUHSQMKR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21ClN2OS/c1-12(2)25-20-18(22)9-14(10-23-20)19-11-24-21(26-19)17-8-7-15-13(3)5-4-6-16(15)17/h4-6,9-12,17H,7-8H2,1-3H3/t17-/m1/s1.
What are the key properties of 5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole?
5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-2-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole has a molecular weight of 384.93 g/mol, XLogP of 6.03, 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-[(1R)-4-methyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole is sourced from PubChem (CID 141116459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).