(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H21N5OS — CID 87487579

IUPAC(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESNc1nc2c(s1)CCCC2C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H21N5OS/c18-17-20-15-12(4-3-5-13(15)24-17)16(23)22-10-8-21(9-11-22)14-6-1-2-7-19-14/h1-2,6-7,12H,3-5,8-11H2,(H2,18,20)
InChIKeyIEEYTRADMPZROT-UHFFFAOYSA-N
MW343.46 g/mol
LogP1.89
Rot. Bonds2

About (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 87487579) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID87487579
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESNc1nc2c(s1)CCCC2C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H21N5OS/c18-17-20-15-12(4-3-5-13(15)24-17)16(23)22-10-8-21(9-11-22)14-6-1-2-7-19-14/h1-2,6-7,12H,3-5,8-11H2,(H2,18,20)
InChIKeyIEEYTRADMPZROT-UHFFFAOYSA-N
XLogP1.89
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 87488588
1-[5-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyrrolidin-2-one
CID 20958127
oxan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854880
(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 166299369
(1S,2R,3S,4S)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98267170
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034354
(1S,2R,3S,4R)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51400612
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257

Frequently Asked Questions

What is the IUPAC name of (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 87487579) is (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Nc1nc2c(s1)CCCC2C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IEEYTRADMPZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c18-17-20-15-12(4-3-5-13(15)24-17)16(23)22-10-8-21(9-11-22)14-6-1-2-7-19-14/h1-2,6-7,12H,3-5,8-11H2,(H2,18,20).
What are the key properties of (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 343.46 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 87487579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).