5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole

C14H20ClN5S — CID 95978808

IUPAC5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole
SMILESCc1cc(C)n(C[C@@H]2CCCCN2Cc2nnsc2Cl)n1
InChIInChI=1S/C14H20ClN5S/c1-10-7-11(2)20(17-10)8-12-5-3-4-6-19(12)9-13-14(15)21-18-16-13/h7,12H,3-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyYJZFKDTWYDRUPT-LBPRGKRZSA-N
MW325.87 g/mol
LogP3.06
Rot. Bonds4

About 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole

5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole (PubChem CID 95978808) has the molecular formula C14H20ClN5S and a molecular weight of 325.87 g/mol. Its IUPAC name is 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole
PubChem CID95978808
Molecular FormulaC14H20ClN5S
Molecular Weight325.87 g/mol
Exact Mass325.11
IUPAC Name5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole
SMILESCc1cc(C)n(C[C@@H]2CCCCN2Cc2nnsc2Cl)n1
InChIInChI=1S/C14H20ClN5S/c1-10-7-11(2)20(17-10)8-12-5-3-4-6-19(12)9-13-14(15)21-18-16-13/h7,12H,3-6,8-9H2,1-2H3/t12-/m0/s1
InChIKeyYJZFKDTWYDRUPT-LBPRGKRZSA-N
XLogP3.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 95750517
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343944
5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343943
1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 141327365
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
CID 95609740
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]thiadiazole
CID 95338508
[1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-2-yl]methanesulfonamide
CID 146121289
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 95609700
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
3,5-dimethyl-1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780569
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 95349314

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole (CID 95978808) is 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole is Cc1cc(C)n(C[C@@H]2CCCCN2Cc2nnsc2Cl)n1.
What is the InChIKey of 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole?
The InChIKey is YJZFKDTWYDRUPT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20ClN5S/c1-10-7-11(2)20(17-10)8-12-5-3-4-6-19(12)9-13-14(15)21-18-16-13/h7,12H,3-6,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole?
5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole has a molecular weight of 325.87 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 95978808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).