1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea

C14H18N6OS — CID 164622256

IUPAC1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea
SMILESCCCNC(=O)N/C(N)=N/c1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C14H18N6OS/c1-2-6-17-14(21)20-12(15)18-10-5-3-4-9(7-10)11-8-22-13(16)19-11/h3-5,7-8H,2,6H2,1H3,(H2,16,19)(H4,15,17,18,20,21)
InChIKeyQAMVPRDOVPKGPL-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.05
Rot. Bonds4

About 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea

1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea (PubChem CID 164622256) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea.

Molecular Properties

Compound Name1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea
PubChem CID164622256
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea
SMILESCCCNC(=O)N/C(N)=N/c1cccc(-c2csc(N)n2)c1
InChIInChI=1S/C14H18N6OS/c1-2-6-17-14(21)20-12(15)18-10-5-3-4-9(7-10)11-8-22-13(16)19-11/h3-5,7-8H,2,6H2,1H3,(H2,16,19)(H4,15,17,18,20,21)
InChIKeyQAMVPRDOVPKGPL-UHFFFAOYSA-N
XLogP2.05
TPSA118.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
N-cyclohexyl-4-phenyl-1,3-thiazol-2-amine
CID 2447522
N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
2-Amino-4-(4-aminophenyl)thiazole
CID 605564
Thiourea, N-(4-ethyl-2-thiazolyl)-N'-(2-phenylethyl)-
CID 3001106
Thiourea, N-(2-phenylethyl)-N'-(4-propyl-2-thiazolyl)-
CID 3001107
N1-(4-(3-aminophenyl)thiazol-2-yl)-N8-hydroxyoctanediamide
CID 24178404
Guanidinenmethylncyanon32nguanidylthiazol4ylphen
CID 14022519
2-Thiazolamine, N-methyl-4-(4-nitrophenyl)-
CID 560762
4-(4-Phenyl-thiazol-2-yl)-piperazine-1-carboxylic acid dimethylamide
CID 778223
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
Dodecanamide, N-(4-phenyl-2-thiazolyl)-
CID 3054676

Frequently Asked Questions

What is the IUPAC name of 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea?
The IUPAC name of 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea (CID 164622256) is 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea.
What is the SMILES notation for 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea?
The canonical SMILES for 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea is CCCNC(=O)N/C(N)=N/c1cccc(-c2csc(N)n2)c1.
What is the InChIKey of 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea?
The InChIKey is QAMVPRDOVPKGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-2-6-17-14(21)20-12(15)18-10-5-3-4-9(7-10)11-8-22-13(16)19-11/h3-5,7-8H,2,6H2,1H3,(H2,16,19)(H4,15,17,18,20,21).
What are the key properties of 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea?
1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea has a molecular weight of 318.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-[3-(2-amino-1,3-thiazol-4-yl)phenyl]carbamimidoyl]-3-propylurea is sourced from PubChem (CID 164622256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).