methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid

C16H20N4O2S — CID 66989505

IUPACmethyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid
SMILESCN(C(=O)O)C1CCN(Cc2cnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C16H20N4O2S/c1-19(16(21)22)12-5-8-20(9-6-12)11-13-10-18-15(23-13)14-4-2-3-7-17-14/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,21,22)
InChIKeyCBKDNPHOHJJUGK-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.78
Rot. Bonds4

About methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid

methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid (PubChem CID 66989505) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid
PubChem CID66989505
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Namemethyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid
SMILESCN(C(=O)O)C1CCN(Cc2cnc(-c3ccccn3)s2)CC1
InChIInChI=1S/C16H20N4O2S/c1-19(16(21)22)12-5-8-20(9-6-12)11-13-10-18-15(23-13)14-4-2-3-7-17-14/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,21,22)
InChIKeyCBKDNPHOHJJUGK-UHFFFAOYSA-N
XLogP2.78
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid?
The IUPAC name of methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid (CID 66989505) is methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid is CN(C(=O)O)C1CCN(Cc2cnc(-c3ccccn3)s2)CC1.
What is the InChIKey of methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid?
The InChIKey is CBKDNPHOHJJUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19(16(21)22)12-5-8-20(9-6-12)11-13-10-18-15(23-13)14-4-2-3-7-17-14/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,21,22).
What are the key properties of methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid?
methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid has a molecular weight of 332.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66989505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).