4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

C16H20N4S — CID 63261269

IUPAC4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(Cn1ccnc1)NC1=NC(Cc2ccccc2)CS1
InChIInChI=1S/C16H20N4S/c1-13(10-20-8-7-17-12-20)18-16-19-15(11-21-16)9-14-5-3-2-4-6-14/h2-8,12-13,15H,9-11H2,1H3,(H,18,19)
InChIKeyUERVITRLUBOVKI-UHFFFAOYSA-N
MW300.43 g/mol
LogP2.58
Rot. Bonds5

About 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63261269) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63261269
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(Cn1ccnc1)NC1=NC(Cc2ccccc2)CS1
InChIInChI=1S/C16H20N4S/c1-13(10-20-8-7-17-12-20)18-16-19-15(11-21-16)9-14-5-3-2-4-6-14/h2-8,12-13,15H,9-11H2,1H3,(H,18,19)
InChIKeyUERVITRLUBOVKI-UHFFFAOYSA-N
XLogP2.58
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 54959075
2-[(4-benzyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 63261225
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496001
1-benzyl-3-(1-imidazol-1-ylpropan-2-yl)-1-methylurea
CID 47253391
4-benzyl-N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261697
4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261612
N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967745
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
4-benzyl-N-(6-methoxy-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261261
2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 61482270

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 63261269) is 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC(Cn1ccnc1)NC1=NC(Cc2ccccc2)CS1.
What is the InChIKey of 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is UERVITRLUBOVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-13(10-20-8-7-17-12-20)18-16-19-15(11-21-16)9-14-5-3-2-4-6-14/h2-8,12-13,15H,9-11H2,1H3,(H,18,19).
What are the key properties of 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 300.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63261269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).