1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea

C14H23N3OS — CID 78886760

IUPAC1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea
SMILESCCCN(CC1CC1)C(=O)NCCc1csc(C)n1
InChIInChI=1S/C14H23N3OS/c1-3-8-17(9-12-4-5-12)14(18)15-7-6-13-10-19-11(2)16-13/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyIVWFDBOQKLLGTB-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.83
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea

1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea (PubChem CID 78886760) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea
PubChem CID78886760
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea
SMILESCCCN(CC1CC1)C(=O)NCCc1csc(C)n1
InChIInChI=1S/C14H23N3OS/c1-3-8-17(9-12-4-5-12)14(18)15-7-6-13-10-19-11(2)16-13/h10,12H,3-9H2,1-2H3,(H,15,18)
InChIKeyIVWFDBOQKLLGTB-UHFFFAOYSA-N
XLogP2.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 106038213
1-(cyclopropylmethyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-propylurea
CID 87003238
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
(2S)-2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 106047524
1-(cyclopropylmethyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylurea
CID 119070667
ethyl 1-[N'-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111156971
cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106032480
4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide
CID 106047519
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
methyl 1-[N'-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254173
2-amino-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 83620151

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea (CID 78886760) is 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea is CCCN(CC1CC1)C(=O)NCCc1csc(C)n1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea?
The InChIKey is IVWFDBOQKLLGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-8-17(9-12-4-5-12)14(18)15-7-6-13-10-19-11(2)16-13/h10,12H,3-9H2,1-2H3,(H,15,18).
What are the key properties of 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea?
1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea has a molecular weight of 281.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-propylurea is sourced from PubChem (CID 78886760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).