1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea

C15H24N4OS — CID 75375360

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1cnc(C(NC(=O)NCCN(C)C2CC2)C2CC2)s1
InChIInChI=1S/C15H24N4OS/c1-10-9-17-14(21-10)13(11-3-4-11)18-15(20)16-7-8-19(2)12-5-6-12/h9,11-13H,3-8H2,1-2H3,(H2,16,18,20)
InChIKeyDTZSCEMXHIJKTJ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.30
Rot. Bonds7

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea

1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 75375360) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID75375360
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1cnc(C(NC(=O)NCCN(C)C2CC2)C2CC2)s1
InChIInChI=1S/C15H24N4OS/c1-10-9-17-14(21-10)13(11-3-4-11)18-15(20)16-7-8-19(2)12-5-6-12/h9,11-13H,3-8H2,1-2H3,(H2,16,18,20)
InChIKeyDTZSCEMXHIJKTJ-UHFFFAOYSA-N
XLogP2.30
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea (CID 75375360) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1cnc(C(NC(=O)NCCN(C)C2CC2)C2CC2)s1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is DTZSCEMXHIJKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-10-9-17-14(21-10)13(11-3-4-11)18-15(20)16-7-8-19(2)12-5-6-12/h9,11-13H,3-8H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 308.45 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 75375360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).