2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid

C12H19N3O2S — CID 80571509

IUPAC2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCC(CN1CCCCC1)Nc1ncc(C(=O)O)s1
InChIInChI=1S/C12H19N3O2S/c1-9(8-15-5-3-2-4-6-15)14-12-13-7-10(18-12)11(16)17/h7,9H,2-6,8H2,1H3,(H,13,14)(H,16,17)
InChIKeyIUQDWBBRQPCWIT-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.13
Rot. Bonds5

About 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid

2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80571509) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID80571509
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCC(CN1CCCCC1)Nc1ncc(C(=O)O)s1
InChIInChI=1S/C12H19N3O2S/c1-9(8-15-5-3-2-4-6-15)14-12-13-7-10(18-12)11(16)17/h7,9H,2-6,8H2,1H3,(H,13,14)(H,16,17)
InChIKeyIUQDWBBRQPCWIT-UHFFFAOYSA-N
XLogP2.13
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571368
2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767910
2-(1-cyclohexylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80571367
2-(2-methylpentan-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80571095
1-(5-phenyl-1,3-thiazol-2-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78874563
2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid
CID 80571184
4-(1-piperidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61499911
2-propan-2-yl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-4-carboxylic acid
CID 62088653
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 83152888
N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 54937957
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 62133475
3-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyridine-2-carboxylic acid
CID 61477469

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid (CID 80571509) is 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid is CC(CN1CCCCC1)Nc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IUQDWBBRQPCWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9(8-15-5-3-2-4-6-15)14-12-13-7-10(18-12)11(16)17/h7,9H,2-6,8H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid?
2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 269.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-1-ylpropan-2-ylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).