N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine

C15H28N4OS — CID 95354246

IUPACN,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN1CCO[C@@H](CNCc2cnc(N(CC)CC)s2)C1
InChIInChI=1S/C15H28N4OS/c1-4-18-7-8-20-13(12-18)9-16-10-14-11-17-15(21-14)19(5-2)6-3/h11,13,16H,4-10,12H2,1-3H3/t13-/m0/s1
InChIKeyWZNSCIKFEYOZQV-ZDUSSCGKSA-N
MW312.48 g/mol
LogP1.80
Rot. Bonds8

About N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 95354246) has the molecular formula C15H28N4OS and a molecular weight of 312.48 g/mol. Its IUPAC name is N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID95354246
Molecular FormulaC15H28N4OS
Molecular Weight312.48 g/mol
Exact Mass312.20
IUPAC NameN,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN1CCO[C@@H](CNCc2cnc(N(CC)CC)s2)C1
InChIInChI=1S/C15H28N4OS/c1-4-18-7-8-20-13(12-18)9-16-10-14-11-17-15(21-14)19(5-2)6-3/h11,13,16H,4-10,12H2,1-3H3/t13-/m0/s1
InChIKeyWZNSCIKFEYOZQV-ZDUSSCGKSA-N
XLogP1.80
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 60856533
1-(4-ethylmorpholin-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180316
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 106124874
1-(4-ethylmorpholin-2-yl)-N-(pyrazin-2-ylmethyl)methanamine
CID 114399662
N,N-diethyl-5-[[(1-propan-2-ylpyrrolidin-3-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 61206615
1-[(2R)-4-ethylmorpholin-2-yl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 95328397
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 112705319
1-(4-ethylmorpholin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115906891
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 113235638
1-(4-ethylmorpholin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78946770
N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 112739673
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-4-ethylmorpholin-2-yl]methanamine
CID 95352400

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine (CID 95354246) is N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine is CCN1CCO[C@@H](CNCc2cnc(N(CC)CC)s2)C1.
What is the InChIKey of N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is WZNSCIKFEYOZQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H28N4OS/c1-4-18-7-8-20-13(12-18)9-16-10-14-11-17-15(21-14)19(5-2)6-3/h11,13,16H,4-10,12H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 312.48 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[[(2S)-4-ethylmorpholin-2-yl]methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 95354246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).