N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide

C18H22FN3OS2 — CID 26326522

IUPACN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cs1
InChIInChI=1S/C18H22FN3OS2/c1-21(17(23)16-12-25-18(20-16)24-2)14-7-5-9-22(11-14)10-13-6-3-4-8-15(13)19/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyHCSKGIWYHFHGFR-CQSZACIVSA-N
MW379.53 g/mol
LogP3.74
Rot. Bonds5

About N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide

N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide (PubChem CID 26326522) has the molecular formula C18H22FN3OS2 and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
PubChem CID26326522
Molecular FormulaC18H22FN3OS2
Molecular Weight379.53 g/mol
Exact Mass379.12
IUPAC NameN-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cs1
InChIInChI=1S/C18H22FN3OS2/c1-21(17(23)16-12-25-18(20-16)24-2)14-7-5-9-22(11-14)10-13-6-3-4-8-15(13)19/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3/t14-/m1/s1
InChIKeyHCSKGIWYHFHGFR-CQSZACIVSA-N
XLogP3.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
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N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
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N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
1-(2-aminoethyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 56911407
1-(2-aminoethyl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyltriazole-4-carboxamide
CID 95894612
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45212790
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 45219753
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CID 95716393
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45245401
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24791341
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide (CID 26326522) is N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)cs1.
What is the InChIKey of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
The InChIKey is HCSKGIWYHFHGFR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FN3OS2/c1-21(17(23)16-12-25-18(20-16)24-2)14-7-5-9-22(11-14)10-13-6-3-4-8-15(13)19/h3-4,6,8,12,14H,5,7,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide?
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-methylsulfanyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 26326522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).