1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea

C16H27N3O2S — CID 56826811

IUPAC1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
SMILESCCC(NC(=O)NC(C)CCC1CCCO1)c1nc(C)cs1
InChIInChI=1S/C16H27N3O2S/c1-4-14(15-17-12(3)10-22-15)19-16(20)18-11(2)7-8-13-6-5-9-21-13/h10-11,13-14H,4-9H2,1-3H3,(H2,18,19,20)
InChIKeyRJMNUEAUFRNWJA-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.55
Rot. Bonds7

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

1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea (PubChem CID 56826811) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
PubChem CID56826811
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea
SMILESCCC(NC(=O)NC(C)CCC1CCCO1)c1nc(C)cs1
InChIInChI=1S/C16H27N3O2S/c1-4-14(15-17-12(3)10-22-15)19-16(20)18-11(2)7-8-13-6-5-9-21-13/h10-11,13-14H,4-9H2,1-3H3,(H2,18,19,20)
InChIKeyRJMNUEAUFRNWJA-UHFFFAOYSA-N
XLogP3.55
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea?
The IUPAC name of 1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea (CID 56826811) is 1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea.
What is the SMILES notation for 1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea?
The canonical SMILES for 1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea is CCC(NC(=O)NC(C)CCC1CCCO1)c1nc(C)cs1.
What is the InChIKey of 1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea?
The InChIKey is RJMNUEAUFRNWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-14(15-17-12(3)10-22-15)19-16(20)18-11(2)7-8-13-6-5-9-21-13/h10-11,13-14H,4-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea?
1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea has a molecular weight of 325.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(oxolan-2-yl)butan-2-yl]urea is sourced from PubChem (CID 56826811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).