4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide

C19H20N4O3S — CID 24733065

IUPAC4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2nc3ccccc3s2)CCN1C(=O)c1ccco1
InChIInChI=1S/C19H20N4O3S/c1-20-18(24)14-11-22(8-9-23(14)19(25)15-6-4-10-26-15)12-17-21-13-5-2-3-7-16(13)27-17/h2-7,10,14H,8-9,11-12H2,1H3,(H,20,24)
InChIKeyARBJSNLUHLWWGI-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.96
Rot. Bonds4

About 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide

4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide (PubChem CID 24733065) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide
PubChem CID24733065
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2nc3ccccc3s2)CCN1C(=O)c1ccco1
InChIInChI=1S/C19H20N4O3S/c1-20-18(24)14-11-22(8-9-23(14)19(25)15-6-4-10-26-15)12-17-21-13-5-2-3-7-16(13)27-17/h2-7,10,14H,8-9,11-12H2,1H3,(H,20,24)
InChIKeyARBJSNLUHLWWGI-UHFFFAOYSA-N
XLogP1.96
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 24733073
1-(furan-2-carbonyl)-4-[2-(1H-indol-3-yl)ethyl]-N-methylpiperazine-2-carboxamide
CID 24733052
4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 110086108
methyl (3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxylate
CID 79047230
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
5-(1,3-benzothiazol-2-ylmethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
CID 134788814
1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxylic acid
CID 18526453
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110015097
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 112796921
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914687

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide (CID 24733065) is 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CN(Cc2nc3ccccc3s2)CCN1C(=O)c1ccco1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is ARBJSNLUHLWWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-20-18(24)14-11-22(8-9-23(14)19(25)15-6-4-10-26-15)12-17-21-13-5-2-3-7-16(13)27-17/h2-7,10,14H,8-9,11-12H2,1H3,(H,20,24).
What are the key properties of 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide?
4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 24733065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).