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

C12H17N3OS — CID 71870716

IUPAC1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1cnc(C(NC(=O)NC2CC2)C2CC2)s1
InChIInChI=1S/C12H17N3OS/c1-7-6-13-11(17-7)10(8-2-3-8)15-12(16)14-9-4-5-9/h6,8-10H,2-5H2,1H3,(H2,14,15,16)
InChIKeyDZKGUQDJHVLLKR-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.36
Rot. Bonds4

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

1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 71870716) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID71870716
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1cnc(C(NC(=O)NC2CC2)C2CC2)s1
InChIInChI=1S/C12H17N3OS/c1-7-6-13-11(17-7)10(8-2-3-8)15-12(16)14-9-4-5-9/h6,8-10H,2-5H2,1H3,(H2,14,15,16)
InChIKeyDZKGUQDJHVLLKR-UHFFFAOYSA-N
XLogP2.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
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-(cyclopropylmethyl)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 97232904
1-[(1-ethylcyclopropyl)methyl]-3-[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]urea
CID 97594484
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-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea (CID 71870716) is 1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1cnc(C(NC(=O)NC2CC2)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is DZKGUQDJHVLLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-6-13-11(17-7)10(8-2-3-8)15-12(16)14-9-4-5-9/h6,8-10H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea?
1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 251.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 71870716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).