4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid

C15H20N2O2S2 — CID 79396811

IUPAC4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(N(Cc2cccs2)C(C)C)sc1C(=O)O
InChIInChI=1S/C15H20N2O2S2/c1-9(2)12-13(14(18)19)21-15(16-12)17(10(3)4)8-11-6-5-7-20-11/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyVFPIUTDYGHVPFV-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.44
Rot. Bonds6

About 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid

4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 79396811) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID79396811
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(N(Cc2cccs2)C(C)C)sc1C(=O)O
InChIInChI=1S/C15H20N2O2S2/c1-9(2)12-13(14(18)19)21-15(16-12)17(10(3)4)8-11-6-5-7-20-11/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyVFPIUTDYGHVPFV-UHFFFAOYSA-N
XLogP4.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765983
5-(aminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 79393291
5-(methylaminomethyl)-N,4-di(propan-2-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 79380668
2-fluoro-6-[propan-2-yl(thiophen-2-ylmethyl)amino]benzoic acid
CID 79511320
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
4-tert-butyl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carbaldehyde
CID 63512891
methyl 3-[2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040201
2-[methyl(pyridin-3-ylmethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393553
2-(4-fluoro-N-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393052
2-(2-fluoro-N-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392561
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62766334
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62766335

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid (CID 79396811) is 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(N(Cc2cccs2)C(C)C)sc1C(=O)O.
What is the InChIKey of 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VFPIUTDYGHVPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-9(2)12-13(14(18)19)21-15(16-12)17(10(3)4)8-11-6-5-7-20-11/h5-7,9-10H,8H2,1-4H3,(H,18,19).
What are the key properties of 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid?
4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 324.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[propan-2-yl(thiophen-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79396811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).