4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide

C19H19ClN4O2S — CID 71448457

IUPAC4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide
SMILESNC(c1csc(Nc2ccc(C(=O)NCCO)cc2)n1)c1ccccc1Cl
InChIInChI=1S/C19H19ClN4O2S/c20-15-4-2-1-3-14(15)17(21)16-11-27-19(24-16)23-13-7-5-12(6-8-13)18(26)22-9-10-25/h1-8,11,17,25H,9-10,21H2,(H,22,26)(H,23,24)
InChIKeyWPBBSKRQIMPTEK-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.31
Rot. Bonds7

About 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide

4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide (PubChem CID 71448457) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide
PubChem CID71448457
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide
SMILESNC(c1csc(Nc2ccc(C(=O)NCCO)cc2)n1)c1ccccc1Cl
InChIInChI=1S/C19H19ClN4O2S/c20-15-4-2-1-3-14(15)17(21)16-11-27-19(24-16)23-13-7-5-12(6-8-13)18(26)22-9-10-25/h1-8,11,17,25H,9-10,21H2,(H,22,26)(H,23,24)
InChIKeyWPBBSKRQIMPTEK-UHFFFAOYSA-N
XLogP3.31
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide (CID 71448457) is 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide is NC(c1csc(Nc2ccc(C(=O)NCCO)cc2)n1)c1ccccc1Cl.
What is the InChIKey of 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is WPBBSKRQIMPTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c20-15-4-2-1-3-14(15)17(21)16-11-27-19(24-16)23-13-7-5-12(6-8-13)18(26)22-9-10-25/h1-8,11,17,25H,9-10,21H2,(H,22,26)(H,23,24).
What are the key properties of 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide?
4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 402.91 g/mol, XLogP of 3.31, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 71448457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).