N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide

C14H24N4O2S — CID 96996719

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide
SMILESCCc1cnc(NC(=O)N2CCN([C@H](CC)CO)CC2)s1
InChIInChI=1S/C14H24N4O2S/c1-3-11(10-19)17-5-7-18(8-6-17)14(20)16-13-15-9-12(4-2)21-13/h9,11,19H,3-8,10H2,1-2H3,(H,15,16,20)/t11-/m1/s1
InChIKeyYFPJFEMOYYLXSO-LLVKDONJSA-N
MW312.44 g/mol
LogP1.63
Rot. Bonds5

About N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide

N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide (PubChem CID 96996719) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide
PubChem CID96996719
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide
SMILESCCc1cnc(NC(=O)N2CCN([C@H](CC)CO)CC2)s1
InChIInChI=1S/C14H24N4O2S/c1-3-11(10-19)17-5-7-18(8-6-17)14(20)16-13-15-9-12(4-2)21-13/h9,11,19H,3-8,10H2,1-2H3,(H,15,16,20)/t11-/m1/s1
InChIKeyYFPJFEMOYYLXSO-LLVKDONJSA-N
XLogP1.63
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126795862
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 87638926
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-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519709
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-3-methylpentanamide
CID 119755320
(3S,4S)-1-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122085813
N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 71973172
N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111754219

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide (CID 96996719) is N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide is CCc1cnc(NC(=O)N2CCN([C@H](CC)CO)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide?
The InChIKey is YFPJFEMOYYLXSO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-11(10-19)17-5-7-18(8-6-17)14(20)16-13-15-9-12(4-2)21-13/h9,11,19H,3-8,10H2,1-2H3,(H,15,16,20)/t11-/m1/s1.
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide?
N-(5-ethyl-1,3-thiazol-2-yl)-4-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 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-[(2R)-1-hydroxybutan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 96996719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).