N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide

C15H24N4OS — CID 71867915

IUPACN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(c2ncc(C)s2)C2CC2)CC1
InChIInChI=1S/C15H24N4OS/c1-3-18-6-8-19(9-7-18)15(20)17-13(12-4-5-12)14-16-10-11(2)21-14/h10,12-13H,3-9H2,1-2H3,(H,17,20)
InChIKeyUTZCFMVFBKURRV-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.25
Rot. Bonds4

About N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 71867915) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide
PubChem CID71867915
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(c2ncc(C)s2)C2CC2)CC1
InChIInChI=1S/C15H24N4OS/c1-3-18-6-8-19(9-7-18)15(20)17-13(12-4-5-12)14-16-10-11(2)21-14/h10,12-13H,3-9H2,1-2H3,(H,17,20)
InChIKeyUTZCFMVFBKURRV-UHFFFAOYSA-N
XLogP2.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide (CID 71867915) is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NC(c2ncc(C)s2)C2CC2)CC1.
What is the InChIKey of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is UTZCFMVFBKURRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-3-18-6-8-19(9-7-18)15(20)17-13(12-4-5-12)14-16-10-11(2)21-14/h10,12-13H,3-9H2,1-2H3,(H,17,20).
What are the key properties of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide?
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 71867915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).