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

C13H22N4S — CID 54959075

IUPACN-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)Cn2ccnc2)=N1
InChIInChI=1S/C13H22N4S/c1-10(2)6-12-8-18-13(16-12)15-11(3)7-17-5-4-14-9-17/h4-5,9-12H,6-8H2,1-3H3,(H,15,16)
InChIKeyXKKDHVLQMVYBJN-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.38
Rot. Bonds5

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

N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54959075) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54959075
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)Cn2ccnc2)=N1
InChIInChI=1S/C13H22N4S/c1-10(2)6-12-8-18-13(16-12)15-11(3)7-17-5-4-14-9-17/h4-5,9-12H,6-8H2,1-3H3,(H,15,16)
InChIKeyXKKDHVLQMVYBJN-UHFFFAOYSA-N
XLogP2.38
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261269
N-(1-imidazol-1-ylpropan-2-yl)-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496001
N-(1-imidazol-1-ylpropan-2-yl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967745
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
CID 62138049
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
CID 43435651
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
N-(1-imidazol-1-ylpropan-2-yl)thiolan-3-amine
CID 43749649
2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767929
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131787
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 54959075) is N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC(C)Cn2ccnc2)=N1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XKKDHVLQMVYBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10(2)6-12-8-18-13(16-12)15-11(3)7-17-5-4-14-9-17/h4-5,9-12H,6-8H2,1-3H3,(H,15,16).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-imidazol-1-ylpropan-2-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.38, 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)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54959075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).