2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid

C10H11N3O2S2 — CID 62753656

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CN(C)c2ncc(C(=O)O)s2)cs1
InChIInChI=1S/C10H11N3O2S2/c1-6-12-7(5-16-6)4-13(2)10-11-3-8(17-10)9(14)15/h3,5H,4H2,1-2H3,(H,14,15)
InChIKeyVYQQAQNKXWPTSF-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.24
Rot. Bonds4

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

2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62753656) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62753656
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CN(C)c2ncc(C(=O)O)s2)cs1
InChIInChI=1S/C10H11N3O2S2/c1-6-12-7(5-16-6)4-13(2)10-11-3-8(17-10)9(14)15/h3,5H,4H2,1-2H3,(H,14,15)
InChIKeyVYQQAQNKXWPTSF-UHFFFAOYSA-N
XLogP2.24
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (CID 62753656) is 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(CN(C)c2ncc(C(=O)O)s2)cs1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VYQQAQNKXWPTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-6-12-7(5-16-6)4-13(2)10-11-3-8(17-10)9(14)15/h3,5H,4H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 269.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62753656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).