2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine

C8H13N3S — CID 102769013

IUPAC2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine
SMILESC/C=C/CCNc1ncc(N)s1
InChIInChI=1S/C8H13N3S/c1-2-3-4-5-10-8-11-6-7(9)12-8/h2-3,6H,4-5,9H2,1H3,(H,10,11)/b3-2+
InChIKeyWBALIBXWEKLSSA-NSCUHMNNSA-N
MW183.28 g/mol
LogP2.10
Rot. Bonds4

About 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine

2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine (PubChem CID 102769013) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine
PubChem CID102769013
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine
SMILESC/C=C/CCNc1ncc(N)s1
InChIInChI=1S/C8H13N3S/c1-2-3-4-5-10-8-11-6-7(9)12-8/h2-3,6H,4-5,9H2,1H3,(H,10,11)/b3-2+
InChIKeyWBALIBXWEKLSSA-NSCUHMNNSA-N
XLogP2.10
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-amino-1,3-thiazol-2-yl)amino]propanamide
CID 102767632
3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 87787723
2-N-(2-methylsulfinylethyl)-1,3-thiazole-2,5-diamine
CID 102769037
2-N-[4-(dimethylamino)butyl]-1,3-thiazole-2,5-diamine
CID 102768195
2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
CID 102769078
1-[(5-amino-1,3-thiazol-2-yl)amino]propan-2-ol
CID 102767603
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 106037262
2-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 102767758
2-N-(2-prop-2-enylsulfanylethyl)-1,3-thiazole-2,5-diamine
CID 106426054
2-[2-[(5-amino-1,3-thiazol-2-yl)amino]ethoxy]ethanol
CID 102768305
2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-2,5-diamine
CID 102768451
2-N-(2-cyclopentyloxyethyl)-1,3-thiazole-2,5-diamine
CID 102768489

Frequently Asked Questions

What is the IUPAC name of 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine (CID 102769013) is 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine is C/C=C/CCNc1ncc(N)s1.
What is the InChIKey of 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine?
The InChIKey is WBALIBXWEKLSSA-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-3-4-5-10-8-11-6-7(9)12-8/h2-3,6H,4-5,9H2,1H3,(H,10,11)/b3-2+.
What are the key properties of 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine?
2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine has a molecular weight of 183.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102769013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).