4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

C14H16N2O2S — CID 22170724

IUPAC4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccc(CO)cc2)s1
InChIInChI=1S/C14H16N2O2S/c1-9(2)12-7-15-14(19-12)16-13(18)11-5-3-10(8-17)4-6-11/h3-7,9,17H,8H2,1-2H3,(H,15,16,18)
InChIKeySZAKGRFFAISAHA-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.01
Rot. Bonds4

About 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22170724) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22170724
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccc(CO)cc2)s1
InChIInChI=1S/C14H16N2O2S/c1-9(2)12-7-15-14(19-12)16-13(18)11-5-3-10(8-17)4-6-11/h3-7,9,17H,8H2,1-2H3,(H,15,16,18)
InChIKeySZAKGRFFAISAHA-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170516
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799
4-[(2-phenylsulfanylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170823
4-[[(5-propan-2-yl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
CID 122048296
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170550
N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 11270186
3-nitro-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170547

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 22170724) is 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1cnc(NC(=O)c2ccc(CO)cc2)s1.
What is the InChIKey of 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SZAKGRFFAISAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(2)12-7-15-14(19-12)16-13(18)11-5-3-10(8-17)4-6-11/h3-7,9,17H,8H2,1-2H3,(H,15,16,18).
What are the key properties of 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 276.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22170724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).