N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine

C13H23N3OS — CID 82515489

IUPACN-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1csc(CN2CCOCC2)n1
InChIInChI=1S/C13H23N3OS/c1-3-11(2)14-8-12-10-18-13(15-12)9-16-4-6-17-7-5-16/h10-11,14H,3-9H2,1-2H3
InChIKeyMJRQDHNNVONRSJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.86
Rot. Bonds6

About N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine

N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine (PubChem CID 82515489) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
PubChem CID82515489
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1csc(CN2CCOCC2)n1
InChIInChI=1S/C13H23N3OS/c1-3-11(2)14-8-12-10-18-13(15-12)9-16-4-6-17-7-5-16/h10-11,14H,3-9H2,1-2H3
InChIKeyMJRQDHNNVONRSJ-UHFFFAOYSA-N
XLogP1.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518
1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768994
N-cyclopropyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386935
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
N-[[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 82515435
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386823
1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386953

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine (CID 82515489) is N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine is CCC(C)NCc1csc(CN2CCOCC2)n1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
The InChIKey is MJRQDHNNVONRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-11(2)14-8-12-10-18-13(15-12)9-16-4-6-17-7-5-16/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine?
N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine is sourced from PubChem (CID 82515489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).