2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride

C10H16ClN3OS — CID 71644976

IUPAC2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CN[C@@H]1CCCNC1)c1nccs1
InChIInChI=1S/C10H15N3OS.ClH/c14-9(10-12-4-5-15-10)7-13-8-2-1-3-11-6-8;/h4-5,8,11,13H,1-3,6-7H2;1H/t8-;/m1./s1
InChIKeyZMQUKCAUBOJMFX-DDWIOCJRSA-N
MW261.78 g/mol
LogP1.09
Rot. Bonds4

About 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride

2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride (PubChem CID 71644976) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
PubChem CID71644976
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CN[C@@H]1CCCNC1)c1nccs1
InChIInChI=1S/C10H15N3OS.ClH/c14-9(10-12-4-5-15-10)7-13-8-2-1-3-11-6-8;/h4-5,8,11,13H,1-3,6-7H2;1H/t8-;/m1./s1
InChIKeyZMQUKCAUBOJMFX-DDWIOCJRSA-N
XLogP1.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride (CID 71644976) is 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride is Cl.O=C(CN[C@@H]1CCCNC1)c1nccs1.
What is the InChIKey of 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
The InChIKey is ZMQUKCAUBOJMFX-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H15N3OS.ClH/c14-9(10-12-4-5-15-10)7-13-8-2-1-3-11-6-8;/h4-5,8,11,13H,1-3,6-7H2;1H/t8-;/m1./s1.
What are the key properties of 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride?
2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride has a molecular weight of 261.78 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 71644976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).