N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine

C11H20N2S — CID 60727178

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
SMILESCCc1nc(CNC(CC)CC)cs1
InChIInChI=1S/C11H20N2S/c1-4-9(5-2)12-7-10-8-14-11(6-3)13-10/h8-9,12H,4-7H2,1-3H3
InChIKeyJCRTYWJSSLNBBE-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.98
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine (PubChem CID 60727178) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
PubChem CID60727178
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
SMILESCCc1nc(CNC(CC)CC)cs1
InChIInChI=1S/C11H20N2S/c1-4-9(5-2)12-7-10-8-14-11(6-3)13-10/h8-9,12H,4-7H2,1-3H3
InChIKeyJCRTYWJSSLNBBE-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 62070996
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol
CID 115644894
N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115726282
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pentan-3-amine
CID 119113948
N-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)butan-2-amine
CID 63202023
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60726588
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180733
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
1-N,1-N-diethyl-4-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentane-1,4-diamine
CID 60727317
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112697003
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768994

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine (CID 60727178) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine is CCc1nc(CNC(CC)CC)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine?
The InChIKey is JCRTYWJSSLNBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-4-9(5-2)12-7-10-8-14-11(6-3)13-10/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine has a molecular weight of 212.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 60727178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).