1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea

C14H21N3OS — CID 75429969

IUPAC1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C1CC1)N(C(=O)NCCc1cscn1)C1CC1
InChIInChI=1S/C14H21N3OS/c1-10(11-2-3-11)17(13-4-5-13)14(18)15-7-6-12-8-19-9-16-12/h8-11,13H,2-7H2,1H3,(H,15,18)
InChIKeyANQBGETXSFZLRF-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.66
Rot. Bonds6

About 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea

1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (PubChem CID 75429969) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
PubChem CID75429969
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C1CC1)N(C(=O)NCCc1cscn1)C1CC1
InChIInChI=1S/C14H21N3OS/c1-10(11-2-3-11)17(13-4-5-13)14(18)15-7-6-12-8-19-9-16-12/h8-11,13H,2-7H2,1H3,(H,15,18)
InChIKeyANQBGETXSFZLRF-UHFFFAOYSA-N
XLogP2.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea with MolForge

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Related Compounds

2-cyclopropyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63826114
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169
2-cyclopropyl-2-(4-fluorophenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110353862
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166
1-cyclopropyl-1-(3-methylbutan-2-yl)-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 75378361
1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-(2-piperidin-1-ylethyl)urea
CID 95635914
2-cyclohexyl-2-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]acetic acid
CID 63824705
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
2-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55260652
6-amino-7,7-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946091
3-[2-(1,3-thiazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63825588
3-cyclopropyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305047

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea (CID 75429969) is 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is CC(C1CC1)N(C(=O)NCCc1cscn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is ANQBGETXSFZLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-10(11-2-3-11)17(13-4-5-13)14(18)15-7-6-12-8-19-9-16-12/h8-11,13H,2-7H2,1H3,(H,15,18).
What are the key properties of 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea?
1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 279.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(1-cyclopropylethyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 75429969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).