1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea

C14H21N3OS — CID 95968026

IUPAC1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCN(CC1CCC1)C(=O)N[C@@H](c1nccs1)C1CC1
InChIInChI=1S/C14H21N3OS/c1-17(9-10-3-2-4-10)14(18)16-12(11-5-6-11)13-15-7-8-19-13/h7-8,10-12H,2-6,9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyWCMDQHGTVTXOJG-GFCCVEGCSA-N
MW279.41 g/mol
LogP3.04
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea

1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea (PubChem CID 95968026) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
PubChem CID95968026
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCN(CC1CCC1)C(=O)N[C@@H](c1nccs1)C1CC1
InChIInChI=1S/C14H21N3OS/c1-17(9-10-3-2-4-10)14(18)16-12(11-5-6-11)13-15-7-8-19-13/h7-8,10-12H,2-6,9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyWCMDQHGTVTXOJG-GFCCVEGCSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea 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-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
CID 71925622
1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea
CID 97048827
3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 71920732
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
CID 98077180
N-[3-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]propyl]cyclobutanecarboxamide
CID 71978867
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
2-[1-[[cyclobutylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374345
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 111540388
N-[[4-[(R)-(cyclobutanecarbonylamino)-(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]-5-methylthiophene-2-carboxamide
CID 98077255

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea (CID 95968026) is 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea is CN(CC1CCC1)C(=O)N[C@@H](c1nccs1)C1CC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea?
The InChIKey is WCMDQHGTVTXOJG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-17(9-10-3-2-4-10)14(18)16-12(11-5-6-11)13-15-7-8-19-13/h7-8,10-12H,2-6,9H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea?
1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea has a molecular weight of 279.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 95968026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).