4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine

C11H21N3OS — CID 84761990

IUPAC4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine
SMILESCC(C)OCCCNc1nc(CCN)cs1
InChIInChI=1S/C11H21N3OS/c1-9(2)15-7-3-6-13-11-14-10(4-5-12)8-16-11/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyMGBOJNPLYMMQNC-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.87
Rot. Bonds8

About 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine

4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine (PubChem CID 84761990) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine
PubChem CID84761990
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine
SMILESCC(C)OCCCNc1nc(CCN)cs1
InChIInChI=1S/C11H21N3OS/c1-9(2)15-7-3-6-13-11-14-10(4-5-12)8-16-11/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyMGBOJNPLYMMQNC-UHFFFAOYSA-N
XLogP1.87
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 84761995
2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol
CID 84761983
2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylic acid
CID 106006405
ethyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 114136482
methyl 2-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106006432
2-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazole-4-carboxamide
CID 66388359
4-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazol-2-amine
CID 28710980
4-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 28710900
3-[[4-(aminomethyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 84761905
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 84761937
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
methyl 3-[2-[(5-amino-5-oxopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114162847

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine (CID 84761990) is 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine is CC(C)OCCCNc1nc(CCN)cs1.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine?
The InChIKey is MGBOJNPLYMMQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9(2)15-7-3-6-13-11-14-10(4-5-12)8-16-11/h8-9H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine?
4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine has a molecular weight of 243.38 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-propan-2-yloxypropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 84761990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).