N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine

C18H15ClN4OS — CID 40793754

IUPACN-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccc(Cl)cc2)sc1C1=NO[C@H](c2ccccn2)C1
InChIInChI=1S/C18H15ClN4OS/c1-11-17(15-10-16(24-23-15)14-4-2-3-9-20-14)25-18(21-11)22-13-7-5-12(19)6-8-13/h2-9,16H,10H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyIKDFLHZGNYXLFU-INIZCTEOSA-N
MW370.87 g/mol
LogP5.11
Rot. Bonds4

About N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine

N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 40793754) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine
PubChem CID40793754
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC NameN-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(Nc2ccc(Cl)cc2)sc1C1=NO[C@H](c2ccccn2)C1
InChIInChI=1S/C18H15ClN4OS/c1-11-17(15-10-16(24-23-15)14-4-2-3-9-20-14)25-18(21-11)22-13-7-5-12(19)6-8-13/h2-9,16H,10H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyIKDFLHZGNYXLFU-INIZCTEOSA-N
XLogP5.11
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.87
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine (CID 40793754) is N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(Nc2ccc(Cl)cc2)sc1C1=NO[C@H](c2ccccn2)C1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is IKDFLHZGNYXLFU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-11-17(15-10-16(24-23-15)14-4-2-3-9-20-14)25-18(21-11)22-13-7-5-12(19)6-8-13/h2-9,16H,10H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 370.87 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-5-[(5S)-5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 40793754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).