2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole

C13H21N3S — CID 82278133

IUPAC2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESc1sc(C2CCNCC2)nc1CN1CCCC1
InChIInChI=1S/C13H21N3S/c1-2-8-16(7-1)9-12-10-17-13(15-12)11-3-5-14-6-4-11/h10-11,14H,1-9H2
InChIKeyYYAYVLBVFCLLOT-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.21
Rot. Bonds3

About 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole

2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole (PubChem CID 82278133) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
PubChem CID82278133
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
SMILESc1sc(C2CCNCC2)nc1CN1CCCC1
InChIInChI=1S/C13H21N3S/c1-2-8-16(7-1)9-12-10-17-13(15-12)11-3-5-14-6-4-11/h10-11,14H,1-9H2
InChIKeyYYAYVLBVFCLLOT-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-piperidin-4-yl-1,3-thiazol-4-yl)methanamine
CID 82670559
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
2-cyclopropyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 96900907
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 165435501
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434496
4-(ethoxymethyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558226
2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 122101002
N-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328418
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154829673

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole (CID 82278133) is 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole is c1sc(C2CCNCC2)nc1CN1CCCC1.
What is the InChIKey of 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is YYAYVLBVFCLLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-8-16(7-1)9-12-10-17-13(15-12)11-3-5-14-6-4-11/h10-11,14H,1-9H2.
What are the key properties of 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole?
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 82278133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).