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

C14H18N4OS — CID 24733073

IUPAC4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2nc3ccccc3s2)CCN1
InChIInChI=1S/C14H18N4OS/c1-15-14(19)11-8-18(7-6-16-11)9-13-17-10-4-2-3-5-12(10)20-13/h2-5,11,16H,6-9H2,1H3,(H,15,19)
InChIKeyKRXPOYFTWPDYPH-UHFFFAOYSA-N
MW290.39 g/mol
LogP0.82
Rot. Bonds3

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

4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide (PubChem CID 24733073) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide
PubChem CID24733073
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2nc3ccccc3s2)CCN1
InChIInChI=1S/C14H18N4OS/c1-15-14(19)11-8-18(7-6-16-11)9-13-17-10-4-2-3-5-12(10)20-13/h2-5,11,16H,6-9H2,1H3,(H,15,19)
InChIKeyKRXPOYFTWPDYPH-UHFFFAOYSA-N
XLogP0.82
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 65449041
4-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 24733065
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
1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxylic acid
CID 18526453
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914687
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
2-[(4-bromo-3-methylpiperidin-1-yl)methyl]-1,3-benzothiazole
CID 114682379
1-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carbaldehyde
CID 55100069
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 112796921
1-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]imidazolidin-2-one
CID 95585798

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide (CID 24733073) is 4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide is CNC(=O)C1CN(Cc2nc3ccccc3s2)CCN1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is KRXPOYFTWPDYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-15-14(19)11-8-18(7-6-16-11)9-13-17-10-4-2-3-5-12(10)20-13/h2-5,11,16H,6-9H2,1H3,(H,15,19).
What are the key properties of 4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide?
4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 24733073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).