4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H23N5S — CID 166731233

IUPAC4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)NC1=NC(CC(C)NC2=NCCN2)CS1
InChIInChI=1S/C12H23N5S/c1-8(2)15-12-17-10(7-18-12)6-9(3)16-11-13-4-5-14-11/h8-10H,4-7H2,1-3H3,(H,15,17)(H2,13,14,16)
InChIKeyOJCKYRLLFSIMNT-UHFFFAOYSA-N
MW269.42 g/mol
LogP0.78
Rot. Bonds4

About 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 166731233) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID166731233
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)NC1=NC(CC(C)NC2=NCCN2)CS1
InChIInChI=1S/C12H23N5S/c1-8(2)15-12-17-10(7-18-12)6-9(3)16-11-13-4-5-14-11/h8-10H,4-7H2,1-3H3,(H,15,17)(H2,13,14,16)
InChIKeyOJCKYRLLFSIMNT-UHFFFAOYSA-N
XLogP0.78
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 166731233) is 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)NC1=NC(CC(C)NC2=NCCN2)CS1.
What is the InChIKey of 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OJCKYRLLFSIMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-8(2)15-12-17-10(7-18-12)6-9(3)16-11-13-4-5-14-11/h8-10H,4-7H2,1-3H3,(H,15,17)(H2,13,14,16).
What are the key properties of 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 269.42 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 166731233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).