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

C14H14BrN5O2S2 — CID 87942240

IUPAC3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide
SMILESBr.COc1ccc(C(N)=O)cc1Nc1nc(-c2cnc(N)s2)cs1
InChIInChI=1S/C14H13N5O2S2.BrH/c1-21-10-3-2-7(12(15)20)4-8(10)18-14-19-9(6-22-14)11-5-17-13(16)23-11;/h2-6H,1H3,(H2,15,20)(H2,16,17)(H,18,19);1H
InChIKeyQIAMZLLCWCPBNL-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.28
Rot. Bonds5

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

3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide (PubChem CID 87942240) has the molecular formula C14H14BrN5O2S2 and a molecular weight of 428.34 g/mol. Its IUPAC name is 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide.

Molecular Properties

Compound Name3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide
PubChem CID87942240
Molecular FormulaC14H14BrN5O2S2
Molecular Weight428.34 g/mol
Exact Mass426.98
IUPAC Name3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide
SMILESBr.COc1ccc(C(N)=O)cc1Nc1nc(-c2cnc(N)s2)cs1
InChIInChI=1S/C14H13N5O2S2.BrH/c1-21-10-3-2-7(12(15)20)4-8(10)18-14-19-9(6-22-14)11-5-17-13(16)23-11;/h2-6H,1H3,(H2,15,20)(H2,16,17)(H,18,19);1H
InChIKeyQIAMZLLCWCPBNL-UHFFFAOYSA-N
XLogP3.28
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-methoxybenzamide
CID 159105325
3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 86665636
3-[[4-(4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 123335380
3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-3-ium-2-yl]amino]-4-methoxybenzamide
CID 163611377
4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide
CID 71472276
3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 87944560
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24597199
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
3-ethoxy-4-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570098
5-(2-methoxy-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 130571395
3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 71472588
3-amino-4-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]benzamide
CID 61480562

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide?
The IUPAC name of 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide (CID 87942240) is 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide.
What is the SMILES notation for 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide?
The canonical SMILES for 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide is Br.COc1ccc(C(N)=O)cc1Nc1nc(-c2cnc(N)s2)cs1.
What is the InChIKey of 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide?
The InChIKey is QIAMZLLCWCPBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S2.BrH/c1-21-10-3-2-7(12(15)20)4-8(10)18-14-19-9(6-22-14)11-5-17-13(16)23-11;/h2-6H,1H3,(H2,15,20)(H2,16,17)(H,18,19);1H.
What are the key properties of 3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide?
3-[[4-(2-amino-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-methoxybenzamide;hydrobromide has a molecular weight of 428.34 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 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]amino]-4-methoxybenzamide;hydrobromide is sourced from PubChem (CID 87942240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).