1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea

C15H23N3OS — CID 71919295

IUPAC1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea
SMILESCCCC1(CNC(=O)NC(c2nccs2)C2CC2)CC1
InChIInChI=1S/C15H23N3OS/c1-2-5-15(6-7-15)10-17-14(19)18-12(11-3-4-11)13-16-8-9-20-13/h8-9,11-12H,2-7,10H2,1H3,(H2,17,18,19)
InChIKeyPFTWVUDRORHURI-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.47
Rot. Bonds7

About 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea

1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea (PubChem CID 71919295) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea
PubChem CID71919295
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea
SMILESCCCC1(CNC(=O)NC(c2nccs2)C2CC2)CC1
InChIInChI=1S/C15H23N3OS/c1-2-5-15(6-7-15)10-17-14(19)18-12(11-3-4-11)13-16-8-9-20-13/h8-9,11-12H,2-7,10H2,1H3,(H2,17,18,19)
InChIKeyPFTWVUDRORHURI-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea?
The IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea (CID 71919295) is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea?
The canonical SMILES for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea is CCCC1(CNC(=O)NC(c2nccs2)C2CC2)CC1.
What is the InChIKey of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea?
The InChIKey is PFTWVUDRORHURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-2-5-15(6-7-15)10-17-14(19)18-12(11-3-4-11)13-16-8-9-20-13/h8-9,11-12H,2-7,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea?
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea has a molecular weight of 293.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1-propylcyclopropyl)methyl]urea is sourced from PubChem (CID 71919295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).