1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

C15H27N5OS — CID 95133792

IUPAC1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCN1CCN([C@H](C)CNC(=O)NCc2csc(C)n2)CC1
InChIInChI=1S/C15H27N5OS/c1-4-19-5-7-20(8-6-19)12(2)9-16-15(21)17-10-14-11-22-13(3)18-14/h11-12H,4-10H2,1-3H3,(H2,16,17,21)/t12-/m1/s1
InChIKeyMBDXBGJQIKBEHJ-GFCCVEGCSA-N
MW325.48 g/mol
LogP1.28
Rot. Bonds6

About 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea

1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (PubChem CID 95133792) has the molecular formula C15H27N5OS and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
PubChem CID95133792
Molecular FormulaC15H27N5OS
Molecular Weight325.48 g/mol
Exact Mass325.19
IUPAC Name1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
SMILESCCN1CCN([C@H](C)CNC(=O)NCc2csc(C)n2)CC1
InChIInChI=1S/C15H27N5OS/c1-4-19-5-7-20(8-6-19)12(2)9-16-15(21)17-10-14-11-22-13(3)18-14/h11-12H,4-10H2,1-3H3,(H2,16,17,21)/t12-/m1/s1
InChIKeyMBDXBGJQIKBEHJ-GFCCVEGCSA-N
XLogP1.28
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 97099835
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95131912
1-[(2R)-2-(dimethylamino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 95134341
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111934024
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111934023
1-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047885
1-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94029075
1-[2-(N-methylanilino)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084045
1-butyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47237480
1-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047921
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51083516
1,2-dimethyl-3-[2-(4-methylpiperazin-1-yl)propyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109424072

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea (CID 95133792) is 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is CCN1CCN([C@H](C)CNC(=O)NCc2csc(C)n2)CC1.
What is the InChIKey of 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is MBDXBGJQIKBEHJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N5OS/c1-4-19-5-7-20(8-6-19)12(2)9-16-15(21)17-10-14-11-22-13(3)18-14/h11-12H,4-10H2,1-3H3,(H2,16,17,21)/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea?
1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 325.48 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 95133792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).