3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide

C15H14N4O2S2 — CID 159105325

IUPAC3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1Cc1nc(-c2cnc(N)s2)cs1
InChIInChI=1S/C15H14N4O2S2/c1-21-11-3-2-8(14(16)20)4-9(11)5-13-19-10(7-22-13)12-6-18-15(17)23-12/h2-4,6-7H,5H2,1H3,(H2,16,20)(H2,17,18)
InChIKeyKDUQPMPLCQWCDN-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.55
Rot. Bonds5

About 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide

3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide (PubChem CID 159105325) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
PubChem CID159105325
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1Cc1nc(-c2cnc(N)s2)cs1
InChIInChI=1S/C15H14N4O2S2/c1-21-11-3-2-8(14(16)20)4-9(11)5-13-19-10(7-22-13)12-6-18-15(17)23-12/h2-4,6-7H,5H2,1H3,(H2,16,20)(H2,17,18)
InChIKeyKDUQPMPLCQWCDN-UHFFFAOYSA-N
XLogP2.55
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide?
The IUPAC name of 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide (CID 159105325) is 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1Cc1nc(-c2cnc(N)s2)cs1.
What is the InChIKey of 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide?
The InChIKey is KDUQPMPLCQWCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-21-11-3-2-8(14(16)20)4-9(11)5-13-19-10(7-22-13)12-6-18-15(17)23-12/h2-4,6-7H,5H2,1H3,(H2,16,20)(H2,17,18).
What are the key properties of 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide?
3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide has a molecular weight of 346.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 159105325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).