4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C13H21N5O2S — CID 116671944

IUPAC4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(N2CCNCC2)nc1N)C1CCOC1
InChIInChI=1S/C13H21N5O2S/c1-17(9-2-7-20-8-9)12(19)10-11(14)16-13(21-10)18-5-3-15-4-6-18/h9,15H,2-8,14H2,1H3
InChIKeyJWZSVZCKILFUIP-UHFFFAOYSA-N
MW311.41 g/mol
LogP-0.00
Rot. Bonds3

About 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116671944) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116671944
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(N2CCNCC2)nc1N)C1CCOC1
InChIInChI=1S/C13H21N5O2S/c1-17(9-2-7-20-8-9)12(19)10-11(14)16-13(21-10)18-5-3-15-4-6-18/h9,15H,2-8,14H2,1H3
InChIKeyJWZSVZCKILFUIP-UHFFFAOYSA-N
XLogP-0.00
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-2-(azepan-1-yl)-N-cyclopropyl-N-methyl-1,3-thiazole-5-carboxamide
CID 116669443
4-amino-N-cyclopentyl-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116669506
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673207
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116666434
(4-amino-2-piperazin-1-yl-1,3-thiazol-5-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 116668787
4-amino-2-piperazin-1-yl-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669529
4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
CID 116670500
4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673968
4-amino-N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668889
N-(2-acetamidoethyl)-4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116670168
3-amino-N-methyl-N-(oxolan-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 82738033

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 116671944) is 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is CN(C(=O)c1sc(N2CCNCC2)nc1N)C1CCOC1.
What is the InChIKey of 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JWZSVZCKILFUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-17(9-2-7-20-8-9)12(19)10-11(14)16-13(21-10)18-5-3-15-4-6-18/h9,15H,2-8,14H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).