1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea

C17H24N6OS — CID 164622190

IUPAC1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea
SMILESCc1nc(N)sc1CCC/N=C(\N)NC(=O)NCCc1ccccc1
InChIInChI=1S/C17H24N6OS/c1-12-14(25-16(19)22-12)8-5-10-20-15(18)23-17(24)21-11-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H2,19,22)(H4,18,20,21,23,24)
InChIKeySOLQHOLUTCBJLO-UHFFFAOYSA-N
MW360.49 g/mol
LogP1.82
Rot. Bonds7

About 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea

1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea (PubChem CID 164622190) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea
PubChem CID164622190
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea
SMILESCc1nc(N)sc1CCC/N=C(\N)NC(=O)NCCc1ccccc1
InChIInChI=1S/C17H24N6OS/c1-12-14(25-16(19)22-12)8-5-10-20-15(18)23-17(24)21-11-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H2,19,22)(H4,18,20,21,23,24)
InChIKeySOLQHOLUTCBJLO-UHFFFAOYSA-N
XLogP1.82
TPSA118.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea (CID 164622190) is 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea is Cc1nc(N)sc1CCC/N=C(\N)NC(=O)NCCc1ccccc1.
What is the InChIKey of 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea?
The InChIKey is SOLQHOLUTCBJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-12-14(25-16(19)22-12)8-5-10-20-15(18)23-17(24)21-11-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H2,19,22)(H4,18,20,21,23,24).
What are the key properties of 1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea?
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea has a molecular weight of 360.49 g/mol, XLogP of 1.82, 7 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-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 164622190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).