2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

C14H20N4S — CID 124973195

IUPAC2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC[C@@H](Cc3ccn[nH]3)C2)cs1
InChIInChI=1S/C14H20N4S/c1-11-16-14(10-19-11)9-18-6-2-3-12(8-18)7-13-4-5-15-17-13/h4-5,10,12H,2-3,6-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyKIMPJTNVFOPKPN-LBPRGKRZSA-N
MW276.41 g/mol
LogP2.63
Rot. Bonds4

About 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 124973195) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID124973195
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(CN2CCC[C@@H](Cc3ccn[nH]3)C2)cs1
InChIInChI=1S/C14H20N4S/c1-11-16-14(10-19-11)9-18-6-2-3-12(8-18)7-13-4-5-15-17-13/h4-5,10,12H,2-3,6-9H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyKIMPJTNVFOPKPN-LBPRGKRZSA-N
XLogP2.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-methyl-6-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 110106337
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997611
5,7-dimethyl-3-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 125027023
4-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 163354714
1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 110106399
4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine
CID 124951929
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-[(1S)-1-ethoxyethyl]-4-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95773430
3-[[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]benzoic acid
CID 110106382
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 124973195) is 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1nc(CN2CCC[C@@H](Cc3ccn[nH]3)C2)cs1.
What is the InChIKey of 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KIMPJTNVFOPKPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4S/c1-11-16-14(10-19-11)9-18-6-2-3-12(8-18)7-13-4-5-15-17-13/h4-5,10,12H,2-3,6-9H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 276.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124973195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).