2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid

C12H20N2O2S — CID 80569265

IUPAC2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)CN(CC(C)C)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H20N2O2S/c1-8(2)5-14(6-9(3)4)12-13-10(7-17-12)11(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyPVJRCTAYZMRLQF-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.96
Rot. Bonds6

About 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid

2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80569265) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80569265
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(C)CN(CC(C)C)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H20N2O2S/c1-8(2)5-14(6-9(3)4)12-13-10(7-17-12)11(15)16/h7-9H,5-6H2,1-4H3,(H,15,16)
InChIKeyPVJRCTAYZMRLQF-UHFFFAOYSA-N
XLogP2.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methylpropyl(pentan-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569415
2-[methyl(pentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568901
1-[2-[bis(2-methylpropyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544603
2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696928
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568911
2-[2-methoxyethyl(3-methoxypropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568985
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-4-carboxylic acid
CID 70845902
methyl 2-[methyl(2-methylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423463
2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
2-(propan-2-ylsulfanylmethyl)-1,3-thiazole-4-carboxylic acid
CID 65134443
2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569601
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568996

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid (CID 80569265) is 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid is CC(C)CN(CC(C)C)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is PVJRCTAYZMRLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)5-14(6-9(3)4)12-13-10(7-17-12)11(15)16/h7-9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 256.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80569265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).