2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine

C9H13N5S — CID 102769078

IUPAC2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCCc2ncc[nH]2)s1
InChIInChI=1S/C9H13N5S/c10-7-6-14-9(15-7)13-3-1-2-8-11-4-5-12-8/h4-6H,1-3,10H2,(H,11,12)(H,13,14)
InChIKeyLXKUYHFWYCGMNL-UHFFFAOYSA-N
MW223.31 g/mol
LogP1.49
Rot. Bonds5

About 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine

2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine (PubChem CID 102769078) has the molecular formula C9H13N5S and a molecular weight of 223.31 g/mol. Its IUPAC name is 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
PubChem CID102769078
Molecular FormulaC9H13N5S
Molecular Weight223.31 g/mol
Exact Mass223.09
IUPAC Name2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCCc2ncc[nH]2)s1
InChIInChI=1S/C9H13N5S/c10-7-6-14-9(15-7)13-3-1-2-8-11-4-5-12-8/h4-6H,1-3,10H2,(H,11,12)(H,13,14)
InChIKeyLXKUYHFWYCGMNL-UHFFFAOYSA-N
XLogP1.49
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 87787723
2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine
CID 102768195
8-N-[3-(1H-imidazol-2-yl)propyl]isoquinoline-5,8-diamine
CID 103139262
2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine
CID 102769013
ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
3-N-[3-(1H-imidazol-2-yl)propyl]-1-methylpyrazole-3,4-diamine
CID 103078919
2-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106196384
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
5-bromo-N-[3-(1H-imidazol-2-yl)propyl]-4-methylpyridin-2-amine
CID 114869393
2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 102768451
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
CID 102767271
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
CID 114156826

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine (CID 102769078) is 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine is Nc1cnc(NCCCc2ncc[nH]2)s1.
What is the InChIKey of 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine?
The InChIKey is LXKUYHFWYCGMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c10-7-6-14-9(15-7)13-3-1-2-8-11-4-5-12-8/h4-6H,1-3,10H2,(H,11,12)(H,13,14).
What are the key properties of 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine?
2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine has a molecular weight of 223.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102769078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).