4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid

C16H18N2O3S — CID 94971006

IUPAC4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1-c1nc(CN2CCOCC2)sc1C(=O)O
InChIInChI=1S/C16H18N2O3S/c1-11-4-2-3-5-12(11)14-15(16(19)20)22-13(17-14)10-18-6-8-21-9-7-18/h2-5H,6-10H2,1H3,(H,19,20)
InChIKeyHBGGZGDUDFNOHQ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.65
Rot. Bonds4

About 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid

4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 94971006) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID94971006
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1-c1nc(CN2CCOCC2)sc1C(=O)O
InChIInChI=1S/C16H18N2O3S/c1-11-4-2-3-5-12(11)14-15(16(19)20)22-13(17-14)10-18-6-8-21-9-7-18/h2-5H,6-10H2,1H3,(H,19,20)
InChIKeyHBGGZGDUDFNOHQ-UHFFFAOYSA-N
XLogP2.65
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 82227254
4-methyl-2-(morpholin-4-ylmethyl)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110387457
2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82227476
[4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110387437
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387463
2-ethyl-4-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 82226860
4-methyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387446
4-methyl-2-(morpholin-4-ylmethyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387444
4-(2-fluorophenyl)-2-(2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970710
4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970687
N-[4-[5-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 71978845
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 94971006) is 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid is Cc1ccccc1-c1nc(CN2CCOCC2)sc1C(=O)O.
What is the InChIKey of 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is HBGGZGDUDFNOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-4-2-3-5-12(11)14-15(16(19)20)22-13(17-14)10-18-6-8-21-9-7-18/h2-5H,6-10H2,1H3,(H,19,20).
What are the key properties of 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid?
4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 318.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94971006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).