2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine

C9H13N5S — CID 102767929

IUPAC2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
SMILESCC(Cn1ccnc1)Nc1ncc(N)s1
InChIInChI=1S/C9H13N5S/c1-7(5-14-3-2-11-6-14)13-9-12-4-8(10)15-9/h2-4,6-7H,5,10H2,1H3,(H,12,13)
InChIKeyPPSIJWDDRIWUQA-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.42
Rot. Bonds4

About 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine

2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine (PubChem CID 102767929) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
PubChem CID102767929
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
SMILESCC(Cn1ccnc1)Nc1ncc(N)s1
InChIInChI=1S/C9H13N5S/c1-7(5-14-3-2-11-6-14)13-9-12-4-8(10)15-9/h2-4,6-7H,5,10H2,1H3,(H,12,13)
InChIKeyPPSIJWDDRIWUQA-UHFFFAOYSA-N
XLogP1.42
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
CID 83266216
2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767910
2-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102767605
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644
2-N-(1-ethoxypropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768135
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
CID 62138049
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile
CID 113320580
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine (CID 102767929) is 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine is CC(Cn1ccnc1)Nc1ncc(N)s1.
What is the InChIKey of 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is PPSIJWDDRIWUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-7(5-14-3-2-11-6-14)13-9-12-4-8(10)15-9/h2-4,6-7H,5,10H2,1H3,(H,12,13).
What are the key properties of 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine?
2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 223.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102767929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).