N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide

C9H15N3OS — CID 115712697

IUPACN-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
SMILESCNC(=O)CCNC(C)c1cncs1
InChIInChI=1S/C9H15N3OS/c1-7(8-5-11-6-14-8)12-4-3-9(13)10-2/h5-7,12H,3-4H2,1-2H3,(H,10,13)
InChIKeyOJOWNAWVNGURPW-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.93
Rot. Bonds5

About N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide

N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide (PubChem CID 115712697) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
PubChem CID115712697
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
SMILESCNC(=O)CCNC(C)c1cncs1
InChIInChI=1S/C9H15N3OS/c1-7(8-5-11-6-14-8)12-4-3-9(13)10-2/h5-7,12H,3-4H2,1-2H3,(H,10,13)
InChIKeyOJOWNAWVNGURPW-UHFFFAOYSA-N
XLogP0.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
1-piperidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 113260255
3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
CID 82110386
N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
CID 115713369
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719652
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735
1-methoxy-4-[1-(1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 115897202
tert-butyl N-[(E)-4-[1-(1,3-thiazol-5-yl)ethylamino]but-2-enyl]carbamate
CID 107253060
2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115895637
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide?
The IUPAC name of N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide (CID 115712697) is N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide.
What is the SMILES notation for N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide?
The canonical SMILES for N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide is CNC(=O)CCNC(C)c1cncs1.
What is the InChIKey of N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide?
The InChIKey is OJOWNAWVNGURPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7(8-5-11-6-14-8)12-4-3-9(13)10-2/h5-7,12H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide?
N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide has a molecular weight of 213.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide is sourced from PubChem (CID 115712697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).