1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea

C12H19N3O2S — CID 154834706

IUPAC1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NC2CCCCCC2)s1
InChIInChI=1S/C12H19N3O2S/c1-17-10-8-13-12(18-10)15-11(16)14-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyXCBKFILYYPAAFX-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.00
Rot. Bonds3

About 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea

1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea (PubChem CID 154834706) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea
PubChem CID154834706
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NC2CCCCCC2)s1
InChIInChI=1S/C12H19N3O2S/c1-17-10-8-13-12(18-10)15-11(16)14-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyXCBKFILYYPAAFX-UHFFFAOYSA-N
XLogP3.00
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 136542648
4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092807
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092810
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
1-cycloheptyl-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191642
2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
CID 166431986
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16622526
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea (CID 154834706) is 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea is COc1cnc(NC(=O)NC2CCCCCC2)s1.
What is the InChIKey of 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The InChIKey is XCBKFILYYPAAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-17-10-8-13-12(18-10)15-11(16)14-9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea?
1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea has a molecular weight of 269.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 154834706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).