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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Related Compounds

2-Methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 18144733
2-Tert-butyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 45815848
(4-Methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 18108102
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 45830197
2-Propan-2-yl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 51086625
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(4-pyridinylmethyl)-4-piperidinamine
CID 56895456
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 70707312
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethanamine
CID 71999834
N-methyl-2-pyridin-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 75431812
N-methyl-1-pyridin-3-yl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 84594467
2-[1-[(6-Methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,3-thiazole
CID 118739943
2-pyridin-2-ylsulfanyl-1-[(1R,5S)-3-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 155541081

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).