N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide

C16H17N5OS2 — CID 25452095

IUPACN-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C16H17N5OS2/c1-10-14(24-20-19-10)15(22)17-11-5-4-8-21(9-11)16-18-12-6-2-3-7-13(12)23-16/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeySJAZRAGXAMISTO-NSHDSACASA-N
MW359.48 g/mol
LogP2.86
Rot. Bonds3

About N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide

N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 25452095) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID25452095
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC NameN-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1
InChIInChI=1S/C16H17N5OS2/c1-10-14(24-20-19-10)15(22)17-11-5-4-8-21(9-11)16-18-12-6-2-3-7-13(12)23-16/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeySJAZRAGXAMISTO-NSHDSACASA-N
XLogP2.86
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561
5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 45188448
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45168499
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methylbutanamide
CID 56896130
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 45197201
1-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(3-methoxypropyl)urea
CID 7455185
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 42595942
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
N-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171328526
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide (CID 25452095) is N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N[C@H]1CCCN(c2nc3ccccc3s2)C1.
What is the InChIKey of N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is SJAZRAGXAMISTO-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-10-14(24-20-19-10)15(22)17-11-5-4-8-21(9-11)16-18-12-6-2-3-7-13(12)23-16/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,17,22)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide?
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 25452095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).