4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide

C13H14ClN3O2S — CID 107123995

IUPAC4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(NCc2ncc(Cl)s2)cc1
InChIInChI=1S/C13H14ClN3O2S/c14-11-7-17-12(20-11)8-16-10-3-1-9(2-4-10)13(19)15-5-6-18/h1-4,7,16,18H,5-6,8H2,(H,15,19)
InChIKeyJVRSVZFLBPVTHO-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.13
Rot. Bonds6

About 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 107123995) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID107123995
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(NCc2ncc(Cl)s2)cc1
InChIInChI=1S/C13H14ClN3O2S/c14-11-7-17-12(20-11)8-16-10-3-1-9(2-4-10)13(19)15-5-6-18/h1-4,7,16,18H,5-6,8H2,(H,15,19)
InChIKeyJVRSVZFLBPVTHO-UHFFFAOYSA-N
XLogP2.13
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-methylbenzamide
CID 107095648
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921583
N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62760382
4-[(5-chlorothiophen-2-yl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111778047
6-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]pyridin-3-amine
CID 104877929
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43742121
2-chloro-5-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 104921758
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
[4-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]methanesulfonamide
CID 107124007
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N,N-diethylbenzamide
CID 104878920

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide (CID 107123995) is 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(NCc2ncc(Cl)s2)cc1.
What is the InChIKey of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is JVRSVZFLBPVTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-11-7-17-12(20-11)8-16-10-3-1-9(2-4-10)13(19)15-5-6-18/h1-4,7,16,18H,5-6,8H2,(H,15,19).
What are the key properties of 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 311.79 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 107123995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).