N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

C10H19N3S — CID 82102841

IUPACN'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(C)c1csc(CCNCCN)n1
InChIInChI=1S/C10H19N3S/c1-8(2)9-7-14-10(13-9)3-5-12-6-4-11/h7-8,12H,3-6,11H2,1-2H3
InChIKeyTVYFMSVKMLXGAQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.36
Rot. Bonds6

About N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 82102841) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID82102841
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(C)c1csc(CCNCCN)n1
InChIInChI=1S/C10H19N3S/c1-8(2)9-7-14-10(13-9)3-5-12-6-4-11/h7-8,12H,3-6,11H2,1-2H3
InChIKeyTVYFMSVKMLXGAQ-UHFFFAOYSA-N
XLogP1.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (CID 82102841) is N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is CC(C)c1csc(CCNCCN)n1.
What is the InChIKey of N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is TVYFMSVKMLXGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)9-7-14-10(13-9)3-5-12-6-4-11/h7-8,12H,3-6,11H2,1-2H3.
What are the key properties of N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 213.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 82102841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).