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

C12H20N2O2S — CID 55112748

IUPAC2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(CC)C(C)C)sc1C(=O)O
InChIInChI=1S/C12H20N2O2S/c1-5-7-9-10(11(15)16)17-12(13-9)14(6-2)8(3)4/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyYTFRZLWHXFWKBU-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.03
Rot. Bonds6

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

2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 55112748) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID55112748
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(N(CC)C(C)C)sc1C(=O)O
InChIInChI=1S/C12H20N2O2S/c1-5-7-9-10(11(15)16)17-12(13-9)14(6-2)8(3)4/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyYTFRZLWHXFWKBU-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
4-tert-butyl-2-[ethyl(propan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 62765960
2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63513767
2-[methyl(2-methylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112845
[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62778308
2-[2-(dimethylamino)ethyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63726540
2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63938356
2-[cyclohexyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765774
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
4-propan-2-yl-2-[propan-2-yl(propyl)amino]-1,3-thiazole-5-carboxylic acid
CID 79393407

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid (CID 55112748) is 2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(N(CC)C(C)C)sc1C(=O)O.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YTFRZLWHXFWKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-7-9-10(11(15)16)17-12(13-9)14(6-2)8(3)4/h8H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid?
2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 256.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 55112748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).