1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea

C15H23N3OS — CID 71867913

IUPAC1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCc1cnc(C(NC(=O)N(C)CC2CCC2)C2CC2)s1
InChIInChI=1S/C15H23N3OS/c1-10-8-16-14(20-10)13(12-6-7-12)17-15(19)18(2)9-11-4-3-5-11/h8,11-13H,3-7,9H2,1-2H3,(H,17,19)
InChIKeyCXGVJDAYSCQLGT-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.34
Rot. Bonds5

About 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea

1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea (PubChem CID 71867913) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
PubChem CID71867913
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCc1cnc(C(NC(=O)N(C)CC2CCC2)C2CC2)s1
InChIInChI=1S/C15H23N3OS/c1-10-8-16-14(20-10)13(12-6-7-12)17-15(19)18(2)9-11-4-3-5-11/h8,11-13H,3-7,9H2,1-2H3,(H,17,19)
InChIKeyCXGVJDAYSCQLGT-UHFFFAOYSA-N
XLogP3.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(Cyclopropylmethyl)pyrrolidin-3-yl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981652
1-[Cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 75376200
3-Ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981834
1-cyclopropyl-N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 75376608
1-(1-Cyclopentylpyrrolidin-3-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521290
1-[(1-ethylcyclopropyl)methyl]-3-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
CID 97594484
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-1-(1,3-thiazol-2-yl)propyl]urea
CID 99823672
1-(Cyclobutylmethyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylurea
CID 99840018
1-(3,3-Dimethylcyclobutyl)-1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
CID 137997532
1-[1-(5-Methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113251523
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-fluoroprop-2-enamide
CID 166417357
4-[[Cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]piperazine-1-sulfonyl fluoride
CID 167765992

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The IUPAC name of 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea (CID 71867913) is 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea is Cc1cnc(C(NC(=O)N(C)CC2CCC2)C2CC2)s1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The InChIKey is CXGVJDAYSCQLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-8-16-14(20-10)13(12-6-7-12)17-15(19)18(2)9-11-4-3-5-11/h8,11-13H,3-7,9H2,1-2H3,(H,17,19).
What are the key properties of 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea has a molecular weight of 293.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 71867913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).