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

C9H16N4OS — CID 110747798

IUPAC1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1csc(N)n1
InChIInChI=1S/C9H16N4OS/c1-2-4-11-9(14)12-5-3-7-6-15-8(10)13-7/h6H,2-5H2,1H3,(H2,10,13)(H2,11,12,14)
InChIKeyGJXSGMOGUPYGNU-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.98
Rot. Bonds5

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

1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea (PubChem CID 110747798) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
PubChem CID110747798
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1csc(N)n1
InChIInChI=1S/C9H16N4OS/c1-2-4-11-9(14)12-5-3-7-6-15-8(10)13-7/h6H,2-5H2,1H3,(H2,10,13)(H2,11,12,14)
InChIKeyGJXSGMOGUPYGNU-UHFFFAOYSA-N
XLogP0.98
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
CID 91785606
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3,5-dimethoxybenzamide
CID 110717829
4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 54244678
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methylbenzamide
CID 110717816
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717869
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea?
The IUPAC name of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea (CID 110747798) is 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea?
The canonical SMILES for 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea is CCCNC(=O)NCCc1csc(N)n1.
What is the InChIKey of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea?
The InChIKey is GJXSGMOGUPYGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-2-4-11-9(14)12-5-3-7-6-15-8(10)13-7/h6H,2-5H2,1H3,(H2,10,13)(H2,11,12,14).
What are the key properties of 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea?
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea has a molecular weight of 228.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea is sourced from PubChem (CID 110747798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).