1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one

C16H25N5OS — CID 71915672

IUPAC1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESCN(c1nc(CN2CCCC(N3CCNC3=O)C2)cs1)C1CC1
InChIInChI=1S/C16H25N5OS/c1-19(13-4-5-13)16-18-12(11-23-16)9-20-7-2-3-14(10-20)21-8-6-17-15(21)22/h11,13-14H,2-10H2,1H3,(H,17,22)
InChIKeyJHENATNRLJYSTE-UHFFFAOYSA-N
MW335.48 g/mol
LogP1.73
Rot. Bonds5

About 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 71915672) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID71915672
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one
SMILESCN(c1nc(CN2CCCC(N3CCNC3=O)C2)cs1)C1CC1
InChIInChI=1S/C16H25N5OS/c1-19(13-4-5-13)16-18-12(11-23-16)9-20-7-2-3-14(10-20)21-8-6-17-15(21)22/h11,13-14H,2-10H2,1H3,(H,17,22)
InChIKeyJHENATNRLJYSTE-UHFFFAOYSA-N
XLogP1.73
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one (CID 71915672) is 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one is CN(c1nc(CN2CCCC(N3CCNC3=O)C2)cs1)C1CC1.
What is the InChIKey of 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is JHENATNRLJYSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-19(13-4-5-13)16-18-12(11-23-16)9-20-7-2-3-14(10-20)21-8-6-17-15(21)22/h11,13-14H,2-10H2,1H3,(H,17,22).
What are the key properties of 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 335.48 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-[cyclopropyl(methyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 71915672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).