2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

C15H22N6OS — CID 50973959

IUPAC2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCCCn1ccnc1CN1CCN(c2nc(C(N)=O)cs2)CC1
InChIInChI=1S/C15H22N6OS/c1-2-4-20-5-3-17-13(20)10-19-6-8-21(9-7-19)15-18-12(11-23-15)14(16)22/h3,5,11H,2,4,6-10H2,1H3,(H2,16,22)
InChIKeyUYMGCJQYRAPUGK-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.17
Rot. Bonds6

About 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide

2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 50973959) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID50973959
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC Name2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCCCn1ccnc1CN1CCN(c2nc(C(N)=O)cs2)CC1
InChIInChI=1S/C15H22N6OS/c1-2-4-20-5-3-17-13(20)10-19-6-8-21(9-7-19)15-18-12(11-23-15)14(16)22/h3,5,11H,2,4,6-10H2,1H3,(H2,16,22)
InChIKeyUYMGCJQYRAPUGK-UHFFFAOYSA-N
XLogP1.17
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 50952783
1-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
CID 64543814
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
2-methyl-3-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 56701973
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 50972370
2-[4-(2,1,3-benzothiadiazol-4-ylmethyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 50962691
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
CID 56883312
2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carbohydrazide
CID 67450642
ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 80569012
(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 99932022
2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
CID 133130632

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 50973959) is 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is CCCn1ccnc1CN1CCN(c2nc(C(N)=O)cs2)CC1.
What is the InChIKey of 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is UYMGCJQYRAPUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-2-4-20-5-3-17-13(20)10-19-6-8-21(9-7-19)15-18-12(11-23-15)14(16)22/h3,5,11H,2,4,6-10H2,1H3,(H2,16,22).
What are the key properties of 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide?
2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50973959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).