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

C14H21N3OS — CID 75375382

IUPAC1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCc1cnc(C(NC(=O)N(C)C2CCC2)C2CC2)s1
InChIInChI=1S/C14H21N3OS/c1-9-8-15-13(19-9)12(10-6-7-10)16-14(18)17(2)11-4-3-5-11/h8,10-12H,3-7H2,1-2H3,(H,16,18)
InChIKeyNOGIJLWDAYTJIF-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.10
Rot. Bonds4

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

1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea (PubChem CID 75375382) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
PubChem CID75375382
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCc1cnc(C(NC(=O)N(C)C2CCC2)C2CC2)s1
InChIInChI=1S/C14H21N3OS/c1-9-8-15-13(19-9)12(10-6-7-10)16-14(18)17(2)11-4-3-5-11/h8,10-12H,3-7H2,1-2H3,(H,16,18)
InChIKeyNOGIJLWDAYTJIF-UHFFFAOYSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.10
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-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The IUPAC name of 1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea (CID 75375382) is 1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea is Cc1cnc(C(NC(=O)N(C)C2CCC2)C2CC2)s1.
What is the InChIKey of 1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The InChIKey is NOGIJLWDAYTJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-8-15-13(19-9)12(10-6-7-10)16-14(18)17(2)11-4-3-5-11/h8,10-12H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea has a molecular weight of 279.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 75375382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).