4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

C14H20N4O2S — CID 68536060

IUPAC4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCN1CCN(C(=O)C2CCCc3sc(C(N)=O)nc32)CC1
InChIInChI=1S/C14H20N4O2S/c1-17-5-7-18(8-6-17)14(20)9-3-2-4-10-11(9)16-13(21-10)12(15)19/h9H,2-8H2,1H3,(H2,15,19)
InChIKeyUAVBPUROYAZSPD-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.44
Rot. Bonds2

About 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide

4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (PubChem CID 68536060) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
PubChem CID68536060
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
SMILESCN1CCN(C(=O)C2CCCc3sc(C(N)=O)nc32)CC1
InChIInChI=1S/C14H20N4O2S/c1-17-5-7-18(8-6-17)14(20)9-3-2-4-10-11(9)16-13(21-10)12(15)19/h9H,2-8H2,1H3,(H2,15,19)
InChIKeyUAVBPUROYAZSPD-UHFFFAOYSA-N
XLogP0.44
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide (CID 68536060) is 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is CN1CCN(C(=O)C2CCCc3sc(C(N)=O)nc32)CC1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
The InChIKey is UAVBPUROYAZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-17-5-7-18(8-6-17)14(20)9-3-2-4-10-11(9)16-13(21-10)12(15)19/h9H,2-8H2,1H3,(H2,15,19).
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide?
4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 68536060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).