2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide

C12H21N3O2S — CID 82939939

IUPAC2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCCCOCCCNC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C12H21N3O2S/c1-3-6-17-7-4-5-14-11(16)10-8-18-12(15-10)9(2)13/h8-9H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyJGWDVVXMUDTBQP-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.71
Rot. Bonds8

About 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide (PubChem CID 82939939) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide
PubChem CID82939939
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide
SMILESCCCOCCCNC(=O)c1csc(C(C)N)n1
InChIInChI=1S/C12H21N3O2S/c1-3-6-17-7-4-5-14-11(16)10-8-18-12(15-10)9(2)13/h8-9H,3-7,13H2,1-2H3,(H,14,16)
InChIKeyJGWDVVXMUDTBQP-UHFFFAOYSA-N
XLogP1.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.71
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

2-(1-aminoethyl)-N-(5-methylhexyl)-1,3-thiazole-4-carboxamide
CID 113287433
2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694251
2-(1-aminoethyl)-N-(2-cyanoethyl)-1,3-thiazole-4-carboxamide
CID 66374975
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(1-aminoethyl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 66389184
5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82947676
6-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-4-ethylhexanoic acid
CID 66390146
N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119407394

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide (CID 82939939) is 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide is CCCOCCCNC(=O)c1csc(C(C)N)n1.
What is the InChIKey of 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JGWDVVXMUDTBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-6-17-7-4-5-14-11(16)10-8-18-12(15-10)9(2)13/h8-9H,3-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 271.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 82939939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).