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

C11H13N3O2S2 — CID 63839992

IUPAC4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1ncsc1CN(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C11H13N3O2S2/c1-6-8(17-5-12-6)4-14(3)11-13-7(2)9(18-11)10(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyOCVMAYQGSNBORT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.55
Rot. Bonds4

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

4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 63839992) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID63839992
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1ncsc1CN(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C11H13N3O2S2/c1-6-8(17-5-12-6)4-14(3)11-13-7(2)9(18-11)10(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyOCVMAYQGSNBORT-UHFFFAOYSA-N
XLogP2.55
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (CID 63839992) is 4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is Cc1ncsc1CN(C)c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is OCVMAYQGSNBORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-6-8(17-5-12-6)4-14(3)11-13-7(2)9(18-11)10(15)16/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 283.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63839992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).