2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine

C9H10ClN3S2 — CID 106037262

IUPAC2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCc2ccc(Cl)s2)s1
InChIInChI=1S/C9H10ClN3S2/c10-7-2-1-6(14-7)3-4-12-9-13-5-8(11)15-9/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyACIBKXWGHXEEIE-UHFFFAOYSA-N
MW259.79 g/mol
LogP3.09
Rot. Bonds4

About 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine

2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine (PubChem CID 106037262) has the molecular formula C9H10ClN3S2 and a molecular weight of 259.79 g/mol. Its IUPAC name is 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
PubChem CID106037262
Molecular FormulaC9H10ClN3S2
Molecular Weight259.79 g/mol
Exact Mass259.00
IUPAC Name2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCc2ccc(Cl)s2)s1
InChIInChI=1S/C9H10ClN3S2/c10-7-2-1-6(14-7)3-4-12-9-13-5-8(11)15-9/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyACIBKXWGHXEEIE-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.79
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,6-diamine
CID 106036887
4-N-[2-(5-chlorothiophen-2-yl)ethyl]quinazoline-4,7-diamine
CID 106036940
4-N-[2-(5-chlorothiophen-2-yl)ethyl]benzene-1,2,4-triamine
CID 106037251
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106040771
3-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 87787723
6-N-[2-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623341
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
2-N-[(E)-pent-3-enyl]-1,3-thiazole-2,5-diamine
CID 102769013
3-tert-butyl-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106048779
5-chloro-4-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908662
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 83301712

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine (CID 106037262) is 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine is Nc1cnc(NCCc2ccc(Cl)s2)s1.
What is the InChIKey of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine?
The InChIKey is ACIBKXWGHXEEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S2/c10-7-2-1-6(14-7)3-4-12-9-13-5-8(11)15-9/h1-2,5H,3-4,11H2,(H,12,13).
What are the key properties of 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine?
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine has a molecular weight of 259.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 106037262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).