2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole

C14H12ClFN4S — CID 68826839

IUPAC2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc2c(c1)[C@]1(C=N2)CNCN1Cc1cnc(Cl)s1
InChIInChI=1S/C14H12ClFN4S/c15-13-18-4-10(21-13)5-20-8-17-6-14(20)7-19-12-2-1-9(16)3-11(12)14/h1-4,7,17H,5-6,8H2/t14-/m1/s1
InChIKeyMIEJYNJQCQKJJH-CQSZACIVSA-N
MW322.80 g/mol
LogP2.91
Rot. Bonds2

About 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole

2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole (PubChem CID 68826839) has the molecular formula C14H12ClFN4S and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole
PubChem CID68826839
Molecular FormulaC14H12ClFN4S
Molecular Weight322.80 g/mol
Exact Mass322.05
IUPAC Name2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc2c(c1)[C@]1(C=N2)CNCN1Cc1cnc(Cl)s1
InChIInChI=1S/C14H12ClFN4S/c15-13-18-4-10(21-13)5-20-8-17-6-14(20)7-19-12-2-1-9(16)3-11(12)14/h1-4,7,17H,5-6,8H2/t14-/m1/s1
InChIKeyMIEJYNJQCQKJJH-CQSZACIVSA-N
XLogP2.91
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole (CID 68826839) is 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole is Fc1ccc2c(c1)[C@]1(C=N2)CNCN1Cc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole?
The InChIKey is MIEJYNJQCQKJJH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H12ClFN4S/c15-13-18-4-10(21-13)5-20-8-17-6-14(20)7-19-12-2-1-9(16)3-11(12)14/h1-4,7,17H,5-6,8H2/t14-/m1/s1.
What are the key properties of 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole?
2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole has a molecular weight of 322.80 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[(5R)-5'-fluorospiro[imidazolidine-5,3'-indole]-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 68826839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).