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

C12H20N4S — CID 113496001

IUPACN-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NC(C)Cn2ccnc2)S1
InChIInChI=1S/C12H20N4S/c1-3-4-11-7-14-12(17-11)15-10(2)8-16-6-5-13-9-16/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyIIZGVQQJSCUDCA-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.13
Rot. Bonds5

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

N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113496001) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113496001
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCC1CN=C(NC(C)Cn2ccnc2)S1
InChIInChI=1S/C12H20N4S/c1-3-4-11-7-14-12(17-11)15-10(2)8-16-6-5-13-9-16/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyIIZGVQQJSCUDCA-UHFFFAOYSA-N
XLogP2.13
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.13
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
N-[1-(4-chlorophenyl)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496008
N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967745
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261269
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091735
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
CID 62138049
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767929
N-(2-propan-2-ylcyclohexyl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496132

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine (CID 113496001) is N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is CCCC1CN=C(NC(C)Cn2ccnc2)S1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IIZGVQQJSCUDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-3-4-11-7-14-12(17-11)15-10(2)8-16-6-5-13-9-16/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 252.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113496001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).