N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide

C13H15N3O2S — CID 62760382

IUPACN-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide
SMILESO=C(NCCO)c1ccc(NCc2cncs2)cc1
InChIInChI=1S/C13H15N3O2S/c17-6-5-15-13(18)10-1-3-11(4-2-10)16-8-12-7-14-9-19-12/h1-4,7,9,16-17H,5-6,8H2,(H,15,18)
InChIKeyLKVMFZUQZPADEP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.48
Rot. Bonds6

About N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide

N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide (PubChem CID 62760382) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide
PubChem CID62760382
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide
SMILESO=C(NCCO)c1ccc(NCc2cncs2)cc1
InChIInChI=1S/C13H15N3O2S/c17-6-5-15-13(18)10-1-3-11(4-2-10)16-8-12-7-14-9-19-12/h1-4,7,9,16-17H,5-6,8H2,(H,15,18)
InChIKeyLKVMFZUQZPADEP-UHFFFAOYSA-N
XLogP1.48
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 107123995
N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43742121
propyl 4-(1,3-thiazol-5-ylmethylamino)benzoate
CID 62760898
N-[2-(1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110717526
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
4-[(5-chlorothiophen-2-yl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111778047
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429
3,4-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzamide
CID 110717499
N-(3-hydroxypropyl)-4-(trimethylsilylmethylamino)benzamide
CID 111778041
4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742098
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea
CID 104580537

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide (CID 62760382) is N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide is O=C(NCCO)c1ccc(NCc2cncs2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide?
The InChIKey is LKVMFZUQZPADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-6-5-15-13(18)10-1-3-11(4-2-10)16-8-12-7-14-9-19-12/h1-4,7,9,16-17H,5-6,8H2,(H,15,18).
What are the key properties of N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide?
N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide has a molecular weight of 277.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide is sourced from PubChem (CID 62760382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).