4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

C23H27ClN2O2S — CID 18967770

IUPAC4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)C(COC)c1ccccc1
InChIInChI=1S/C23H27ClN2O2S/c1-5-13-26(21(15-27-3)17-9-7-6-8-10-17)23-25-22(16(2)29-23)19-12-11-18(28-4)14-20(19)24/h6-12,14,21H,5,13,15H2,1-4H3
InChIKeyBAICRSZQWDLTLM-UHFFFAOYSA-N
MW431.00 g/mol
LogP6.38
Rot. Bonds9

About 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 18967770) has the molecular formula C23H27ClN2O2S and a molecular weight of 431.00 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID18967770
Molecular FormulaC23H27ClN2O2S
Molecular Weight431.00 g/mol
Exact Mass430.15
IUPAC Name4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)C(COC)c1ccccc1
InChIInChI=1S/C23H27ClN2O2S/c1-5-13-26(21(15-27-3)17-9-7-6-8-10-17)23-25-22(16(2)29-23)19-12-11-18(28-4)14-20(19)24/h6-12,14,21H,5,13,15H2,1-4H3
InChIKeyBAICRSZQWDLTLM-UHFFFAOYSA-N
XLogP6.38
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.00
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (CID 18967770) is 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(OC)cc2Cl)c(C)s1)C(COC)c1ccccc1.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is BAICRSZQWDLTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2S/c1-5-13-26(21(15-27-3)17-9-7-6-8-10-17)23-25-22(16(2)29-23)19-12-11-18(28-4)14-20(19)24/h6-12,14,21H,5,13,15H2,1-4H3.
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 431.00 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 18967770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).