1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea

C15H25N3OS — CID 99840018

IUPAC1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea
SMILESCCc1cnc(CNC(=O)N(CC2CCC2)C(C)C)s1
InChIInChI=1S/C15H25N3OS/c1-4-13-8-16-14(20-13)9-17-15(19)18(11(2)3)10-12-6-5-7-12/h8,11-12H,4-7,9-10H2,1-3H3,(H,17,19)
InChIKeyPIAJNHWODFZYIX-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.43
Rot. Bonds6

About 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea

1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea (PubChem CID 99840018) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea
PubChem CID99840018
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea
SMILESCCc1cnc(CNC(=O)N(CC2CCC2)C(C)C)s1
InChIInChI=1S/C15H25N3OS/c1-4-13-8-16-14(20-13)9-17-15(19)18(11(2)3)10-12-6-5-7-12/h8,11-12H,4-7,9-10H2,1-3H3,(H,17,19)
InChIKeyPIAJNHWODFZYIX-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea (CID 99840018) is 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea is CCc1cnc(CNC(=O)N(CC2CCC2)C(C)C)s1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea?
The InChIKey is PIAJNHWODFZYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-13-8-16-14(20-13)9-17-15(19)18(11(2)3)10-12-6-5-7-12/h8,11-12H,4-7,9-10H2,1-3H3,(H,17,19).
What are the key properties of 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea?
1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea has a molecular weight of 295.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea is sourced from PubChem (CID 99840018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).