1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one

C16H20N4OS — CID 86799406

IUPAC1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
SMILESCC(C)c1cnc(CNc2ccc(N3CCNC3=O)cc2)s1
InChIInChI=1S/C16H20N4OS/c1-11(2)14-9-19-15(22-14)10-18-12-3-5-13(6-4-12)20-8-7-17-16(20)21/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,17,21)
InChIKeyVLRYYIGUMPMAMJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one

1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one (PubChem CID 86799406) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
PubChem CID86799406
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
SMILESCC(C)c1cnc(CNc2ccc(N3CCNC3=O)cc2)s1
InChIInChI=1S/C16H20N4OS/c1-11(2)14-9-19-15(22-14)10-18-12-3-5-13(6-4-12)20-8-7-17-16(20)21/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,17,21)
InChIKeyVLRYYIGUMPMAMJ-UHFFFAOYSA-N
XLogP3.41
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one (CID 86799406) is 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one is CC(C)c1cnc(CNc2ccc(N3CCNC3=O)cc2)s1.
What is the InChIKey of 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one?
The InChIKey is VLRYYIGUMPMAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-11(2)14-9-19-15(22-14)10-18-12-3-5-13(6-4-12)20-8-7-17-16(20)21/h3-6,9,11,18H,7-8,10H2,1-2H3,(H,17,21).
What are the key properties of 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one?
1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one has a molecular weight of 316.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 86799406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).