N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide

C16H16N4OS — CID 11856359

IUPACN-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCNc1nsc2ccccc12
InChIInChI=1S/C16H16N4OS/c1-11-5-4-8-17-14(11)16(21)19-10-9-18-15-12-6-2-3-7-13(12)22-20-15/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZGTUWKBDXUIVHQ-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.84
Rot. Bonds5

About N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide

N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide (PubChem CID 11856359) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide
PubChem CID11856359
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCCNc1nsc2ccccc12
InChIInChI=1S/C16H16N4OS/c1-11-5-4-8-17-14(11)16(21)19-10-9-18-15-12-6-2-3-7-13(12)22-20-15/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyZGTUWKBDXUIVHQ-UHFFFAOYSA-N
XLogP2.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 58726928
N-[3-(1,2-benzothiazol-3-ylamino)propyl]pyridine-2-carboxamide
CID 11855264
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 11855263
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]quinoline-2-carboxamide
CID 11856362
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-2,5-difluorobenzamide
CID 57436445
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-2H-benzotriazole-5-carboxamide
CID 11856620
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 11854994
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 11854233
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-phenylpropanamide
CID 143285435
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 57436450
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-naphthalen-2-ylbenzamide
CID 57436455
N'-(1,2-benzothiazol-3-yl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 58726811

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide (CID 11856359) is N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCCNc1nsc2ccccc12.
What is the InChIKey of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide?
The InChIKey is ZGTUWKBDXUIVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-5-4-8-17-14(11)16(21)19-10-9-18-15-12-6-2-3-7-13(12)22-20-15/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide?
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 11856359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).