1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea

C20H28N4OS — CID 46943582

IUPAC1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea
SMILESNC(CCc1ccccc1)c1csc(NC(=O)NCC2CCCCC2)n1
InChIInChI=1S/C20H28N4OS/c21-17(12-11-15-7-3-1-4-8-15)18-14-26-20(23-18)24-19(25)22-13-16-9-5-2-6-10-16/h1,3-4,7-8,14,16-17H,2,5-6,9-13,21H2,(H2,22,23,24,25)
InChIKeyPCRKVVCIVQTBPV-UHFFFAOYSA-N
MW372.54 g/mol
LogP4.48
Rot. Bonds7

About 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea

1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea (PubChem CID 46943582) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea
PubChem CID46943582
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea
SMILESNC(CCc1ccccc1)c1csc(NC(=O)NCC2CCCCC2)n1
InChIInChI=1S/C20H28N4OS/c21-17(12-11-15-7-3-1-4-8-15)18-14-26-20(23-18)24-19(25)22-13-16-9-5-2-6-10-16/h1,3-4,7-8,14,16-17H,2,5-6,9-13,21H2,(H2,22,23,24,25)
InChIKeyPCRKVVCIVQTBPV-UHFFFAOYSA-N
XLogP4.48
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea?
The IUPAC name of 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea (CID 46943582) is 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea is NC(CCc1ccccc1)c1csc(NC(=O)NCC2CCCCC2)n1.
What is the InChIKey of 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea?
The InChIKey is PCRKVVCIVQTBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c21-17(12-11-15-7-3-1-4-8-15)18-14-26-20(23-18)24-19(25)22-13-16-9-5-2-6-10-16/h1,3-4,7-8,14,16-17H,2,5-6,9-13,21H2,(H2,22,23,24,25).
What are the key properties of 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea?
1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea has a molecular weight of 372.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]-3-(cyclohexylmethyl)urea is sourced from PubChem (CID 46943582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).