N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

C19H20N4OS2 — CID 30464344

IUPACN-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C19H20N4OS2/c24-19(20-15-5-2-1-3-6-15)23-10-8-22(9-11-23)13-18-21-16(14-26-18)17-7-4-12-25-17/h1-7,12,14H,8-11,13H2,(H,20,24)
InChIKeyAMQAETRTYCOIPZ-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.22
Rot. Bonds4

About N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 30464344) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID30464344
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC NameN-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C19H20N4OS2/c24-19(20-15-5-2-1-3-6-15)23-10-8-22(9-11-23)13-18-21-16(14-26-18)17-7-4-12-25-17/h1-7,12,14H,8-11,13H2,(H,20,24)
InChIKeyAMQAETRTYCOIPZ-UHFFFAOYSA-N
XLogP4.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464372
N-(2-ethoxyphenyl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464389
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 30464037
N-(3,4-dimethylphenyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463955
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-1,3-thiazole
CID 30463840
4-[(5-oxo-2-thiophen-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]-N-phenylpiperazine-1-carboxamide
CID 50803415
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463914
2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30486855
2-(piperazin-1-ylmethyl)-4-thiophen-2-yl-1,3-thiazole;dihydrochloride
CID 71778838
1,3-benzodioxol-5-yl-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780263

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (CID 30464344) is N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is AMQAETRTYCOIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c24-19(20-15-5-2-1-3-6-15)23-10-8-22(9-11-23)13-18-21-16(14-26-18)17-7-4-12-25-17/h1-7,12,14H,8-11,13H2,(H,20,24).
What are the key properties of N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30464344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).