N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine

C13H18N4S2 — CID 77096662

IUPACN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCCSc1ncc(CN(C)C(C)c2nccs2)cn1
InChIInChI=1S/C13H18N4S2/c1-4-18-13-15-7-11(8-16-13)9-17(3)10(2)12-14-5-6-19-12/h5-8,10H,4,9H2,1-3H3
InChIKeyOVZNRMNEKLLXBP-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.24
Rot. Bonds6

About N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine

N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 77096662) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID77096662
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC NameN-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCCSc1ncc(CN(C)C(C)c2nccs2)cn1
InChIInChI=1S/C13H18N4S2/c1-4-18-13-15-7-11(8-16-13)9-17(3)10(2)12-14-5-6-19-12/h5-8,10H,4,9H2,1-3H3
InChIKeyOVZNRMNEKLLXBP-UHFFFAOYSA-N
XLogP3.24
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
CID 87610344
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetamide
CID 50949141
N-[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45223878
(1S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 99934440
2-[2-chloro-6-methoxy-4-[[methyl-[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]phenoxy]acetic acid
CID 99948041
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543
1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 116651463
(1S)-N-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 42287529
N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45244584
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]-N-pyrazin-2-ylacetamide
CID 50959762
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine (CID 77096662) is N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine is CCSc1ncc(CN(C)C(C)c2nccs2)cn1.
What is the InChIKey of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is OVZNRMNEKLLXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-4-18-13-15-7-11(8-16-13)9-17(3)10(2)12-14-5-6-19-12/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine?
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 294.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 77096662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).