3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

C18H19N3O3S — CID 166225271

IUPAC3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(NCc2cnc(-c3ccco3)s2)cccc1C(=O)NCCO
InChIInChI=1S/C18H19N3O3S/c1-12-14(17(23)19-7-8-22)4-2-5-15(12)20-10-13-11-21-18(25-13)16-6-3-9-24-16/h2-6,9,11,20,22H,7-8,10H2,1H3,(H,19,23)
InChIKeyRLCVSFCNVVJMKM-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.05
Rot. Bonds7

About 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide

3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 166225271) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID166225271
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1c(NCc2cnc(-c3ccco3)s2)cccc1C(=O)NCCO
InChIInChI=1S/C18H19N3O3S/c1-12-14(17(23)19-7-8-22)4-2-5-15(12)20-10-13-11-21-18(25-13)16-6-3-9-24-16/h2-6,9,11,20,22H,7-8,10H2,1H3,(H,19,23)
InChIKeyRLCVSFCNVVJMKM-UHFFFAOYSA-N
XLogP3.05
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)benzamide
CID 100697415
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 109480053
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906152
3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906218
N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282727
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-methylbenzamide
CID 54883427
3-[(2,5-difluorophenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906159
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-propylbenzamide
CID 168579862
3-[(2-chloro-6-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71913623
N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
CID 111778028
3-[(3-fluoro-4-methoxyphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906161
2-[ethyl-[3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122042374

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide (CID 166225271) is 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1c(NCc2cnc(-c3ccco3)s2)cccc1C(=O)NCCO.
What is the InChIKey of 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is RLCVSFCNVVJMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-14(17(23)19-7-8-22)4-2-5-15(12)20-10-13-11-21-18(25-13)16-6-3-9-24-16/h2-6,9,11,20,22H,7-8,10H2,1H3,(H,19,23).
What are the key properties of 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide?
3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 357.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 166225271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).