4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

C14H23N5OS — CID 116673968

IUPAC4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESC=CCCCN(C)C(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C14H23N5OS/c1-3-4-5-8-18(2)13(20)11-12(15)17-14(21-11)19-9-6-16-7-10-19/h3,16H,1,4-10,15H2,2H3
InChIKeyZKUHBOOHOYCNQS-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.17
Rot. Bonds6

About 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116673968) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116673968
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESC=CCCCN(C)C(=O)c1sc(N2CCNCC2)nc1N
InChIInChI=1S/C14H23N5OS/c1-3-4-5-8-18(2)13(20)11-12(15)17-14(21-11)19-9-6-16-7-10-19/h3,16H,1,4-10,15H2,2H3
InChIKeyZKUHBOOHOYCNQS-UHFFFAOYSA-N
XLogP1.17
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116666434
4-amino-2-(dimethylamino)-N-methyl-N-pent-4-enyl-1,3-thiazole-5-carboxamide
CID 116673980
4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668307
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-N-propan-2-yl-N-propyl-1,3-thiazole-5-carboxamide
CID 116669529
4-amino-2-(3-aminopyrrolidin-1-yl)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672055
4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116671563
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
4-amino-2-(3-aminopiperidin-1-yl)-N-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116672068
4-amino-N-(2-methoxyethyl)-N-methyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116663288
4-amino-2-piperazin-1-yl-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 106434169
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106918863

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 116673968) is 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is C=CCCCN(C)C(=O)c1sc(N2CCNCC2)nc1N.
What is the InChIKey of 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZKUHBOOHOYCNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-3-4-5-8-18(2)13(20)11-12(15)17-14(21-11)19-9-6-16-7-10-19/h3,16H,1,4-10,15H2,2H3.
What are the key properties of 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).