N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide

C15H24N4O2S — CID 126795862

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCCc1cnc(NC(=O)N2CCN(C3CCOCC3)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-13-11-16-14(22-13)17-15(20)19-7-5-18(6-8-19)12-3-9-21-10-4-12/h11-12H,2-10H2,1H3,(H,16,17,20)
InChIKeyXGBHXNFISXCPKP-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.03
Rot. Bonds3

About N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide

N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 126795862) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID126795862
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCCc1cnc(NC(=O)N2CCN(C3CCOCC3)CC2)s1
InChIInChI=1S/C15H24N4O2S/c1-2-13-11-16-14(22-13)17-15(20)19-7-5-18(6-8-19)12-3-9-21-10-4-12/h11-12H,2-10H2,1H3,(H,16,17,20)
InChIKeyXGBHXNFISXCPKP-UHFFFAOYSA-N
XLogP2.03
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide
CID 96996719
N-(5-benzyl-1,3-thiazol-2-yl)-4-cyclopentyl-1,4-diazepane-1-carboxamide
CID 126766658
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(5-ethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 75435311
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
CID 113246126
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 87638926
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 59143398
N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 119755286
(3S,4S)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122085813
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
(3S)-4-(2,2-difluoroethyl)-N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 99785914
N-[4-(5-butyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 23653765

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide (CID 126795862) is N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide is CCc1cnc(NC(=O)N2CCN(C3CCOCC3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is XGBHXNFISXCPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-13-11-16-14(22-13)17-15(20)19-7-5-18(6-8-19)12-3-9-21-10-4-12/h11-12H,2-10H2,1H3,(H,16,17,20).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide?
N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126795862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).