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

C15H20N4O3S2 — CID 135116888

IUPAC4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)CN(C)Cc2csc(C(C)C)n2)sc1C(=O)O
InChIInChI=1S/C15H20N4O3S2/c1-8(2)13-17-10(7-23-13)5-19(4)6-11(20)18-15-16-9(3)12(24-15)14(21)22/h7-8H,5-6H2,1-4H3,(H,21,22)(H,16,18,20)
InChIKeyBRGWMFIAXZYRFW-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.80
Rot. Bonds7

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

4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 135116888) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID135116888
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)CN(C)Cc2csc(C(C)C)n2)sc1C(=O)O
InChIInChI=1S/C15H20N4O3S2/c1-8(2)13-17-10(7-23-13)5-19(4)6-11(20)18-15-16-9(3)12(24-15)14(21)22/h7-8H,5-6H2,1-4H3,(H,21,22)(H,16,18,20)
InChIKeyBRGWMFIAXZYRFW-UHFFFAOYSA-N
XLogP2.80
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethylphenyl)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 50984695
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 28803672
2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 135115780
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
2-[[2-[1,4-dioxan-2-ylmethyl(methyl)amino]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91842848
4-methyl-2-[(2-phenylacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 28803701
2-[(2-methoxyacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82226333
2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569882
2-[[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 22194107
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38928151
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 110451038
N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91785789

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid (CID 135116888) is 4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(=O)CN(C)Cc2csc(C(C)C)n2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is BRGWMFIAXZYRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-8(2)13-17-10(7-23-13)5-19(4)6-11(20)18-15-16-9(3)12(24-15)14(21)22/h7-8H,5-6H2,1-4H3,(H,21,22)(H,16,18,20).
What are the key properties of 4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 368.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 135116888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).