4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid

C10H15N3O2S — CID 103261211

IUPAC4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CNN2CCCCC2)cs1
InChIInChI=1S/C10H15N3O2S/c14-10(15)9-12-8(7-16-9)6-11-13-4-2-1-3-5-13/h7,11H,1-6H2,(H,14,15)
InChIKeyFGWHTVUGFPEKFO-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.33
Rot. Bonds4

About 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid

4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 103261211) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID103261211
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CNN2CCCCC2)cs1
InChIInChI=1S/C10H15N3O2S/c14-10(15)9-12-8(7-16-9)6-11-13-4-2-1-3-5-13/h7,11H,1-6H2,(H,14,15)
InChIKeyFGWHTVUGFPEKFO-UHFFFAOYSA-N
XLogP1.33
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103282713
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103247696
4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 130547609
4-[(2,3,4,5,6-pentafluoroanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103260899
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103237562
4-[[(4-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103268504
4-[(2,4,5-trifluoroanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103249586
4-[[(2-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103267195
4-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103261428
4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103256731
4-[[2-chloro-6-(trifluoromethyl)anilino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103230248

Frequently Asked Questions

What is the IUPAC name of 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid (CID 103261211) is 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CNN2CCCCC2)cs1.
What is the InChIKey of 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is FGWHTVUGFPEKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-10(15)9-12-8(7-16-9)6-11-13-4-2-1-3-5-13/h7,11H,1-6H2,(H,14,15).
What are the key properties of 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 103261211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).