4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine

C13H21N3S2 — CID 118790214

IUPAC4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
SMILESc1nc(CN2CCC(N3CCSCC3)CC2)cs1
InChIInChI=1S/C13H21N3S2/c1-3-15(9-12-10-18-11-14-12)4-2-13(1)16-5-7-17-8-6-16/h10-11,13H,1-9H2
InChIKeyDMJGSBIVTXGHCK-UHFFFAOYSA-N
MW283.47 g/mol
LogP2.16
Rot. Bonds3

About 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine

4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine (PubChem CID 118790214) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
PubChem CID118790214
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
SMILESc1nc(CN2CCC(N3CCSCC3)CC2)cs1
InChIInChI=1S/C13H21N3S2/c1-3-15(9-12-10-18-11-14-12)4-2-13(1)16-5-7-17-8-6-16/h10-11,13H,1-9H2
InChIKeyDMJGSBIVTXGHCK-UHFFFAOYSA-N
XLogP2.16
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[4-(3-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 75510884
pyrrolidin-1-yl-[(3S)-1-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95558373
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 66194828
N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 78924569
4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171326906
4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole
CID 126834123
4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazole
CID 51073552
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136541469
4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171335538
4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 75424571
4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]benzonitrile
CID 171335414

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine (CID 118790214) is 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine is c1nc(CN2CCC(N3CCSCC3)CC2)cs1.
What is the InChIKey of 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine?
The InChIKey is DMJGSBIVTXGHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-3-15(9-12-10-18-11-14-12)4-2-13(1)16-5-7-17-8-6-16/h10-11,13H,1-9H2.
What are the key properties of 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine?
4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine has a molecular weight of 283.47 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 118790214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).