3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide

C10H17N3OS — CID 61193122

IUPAC3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
SMILESCc1nc(C)c(C(C)NCCC(N)=O)s1
InChIInChI=1S/C10H17N3OS/c1-6(12-5-4-9(11)14)10-7(2)13-8(3)15-10/h6,12H,4-5H2,1-3H3,(H2,11,14)
InChIKeyTVDFTDPYMUTFLH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.29
Rot. Bonds5

About 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide

3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide (PubChem CID 61193122) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide.

Molecular Properties

Compound Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
PubChem CID61193122
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
SMILESCc1nc(C)c(C(C)NCCC(N)=O)s1
InChIInChI=1S/C10H17N3OS/c1-6(12-5-4-9(11)14)10-7(2)13-8(3)15-10/h6,12H,4-5H2,1-3H3,(H2,11,14)
InChIKeyTVDFTDPYMUTFLH-UHFFFAOYSA-N
XLogP1.29
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83210951
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77031825
N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
CID 60865573
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-methylacetamide
CID 61193340
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]prop-2-enoic acid
CID 103242808
1-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]cyclopentan-1-amine
CID 64677694
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164
N-[2-(2-aminoethoxy)ethyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 79479475

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
The IUPAC name of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide (CID 61193122) is 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide.
What is the SMILES notation for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
The canonical SMILES for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide is Cc1nc(C)c(C(C)NCCC(N)=O)s1.
What is the InChIKey of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
The InChIKey is TVDFTDPYMUTFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(12-5-4-9(11)14)10-7(2)13-8(3)15-10/h6,12H,4-5H2,1-3H3,(H2,11,14).
What are the key properties of 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide?
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide has a molecular weight of 227.33 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide is sourced from PubChem (CID 61193122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).