N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine

C18H27N5S — CID 125007588

IUPACN,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
SMILESCc1nc(CN2CCC[C@@H](Cc3cnc(N(C)C)cn3)CC2)cs1
InChIInChI=1S/C18H27N5S/c1-14-21-17(13-24-14)12-23-7-4-5-15(6-8-23)9-16-10-20-18(11-19-16)22(2)3/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1
InChIKeyUOSMMRRHNWMMJS-OAHLLOKOSA-N
MW345.52 g/mol
LogP3.15
Rot. Bonds5

About N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine

N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine (PubChem CID 125007588) has the molecular formula C18H27N5S and a molecular weight of 345.52 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
PubChem CID125007588
Molecular FormulaC18H27N5S
Molecular Weight345.52 g/mol
Exact Mass345.20
IUPAC NameN,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
SMILESCc1nc(CN2CCC[C@@H](Cc3cnc(N(C)C)cn3)CC2)cs1
InChIInChI=1S/C18H27N5S/c1-14-21-17(13-24-14)12-23-7-4-5-15(6-8-23)9-16-10-20-18(11-19-16)22(2)3/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1
InChIKeyUOSMMRRHNWMMJS-OAHLLOKOSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
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1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 90494064
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
1-[(4R)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124966703
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
[4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110119168
N-methyl-5-[[(4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine
CID 124998331

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine (CID 125007588) is N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine is Cc1nc(CN2CCC[C@@H](Cc3cnc(N(C)C)cn3)CC2)cs1.
What is the InChIKey of N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
The InChIKey is UOSMMRRHNWMMJS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N5S/c1-14-21-17(13-24-14)12-23-7-4-5-15(6-8-23)9-16-10-20-18(11-19-16)22(2)3/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine?
N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine has a molecular weight of 345.52 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]azepan-4-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 125007588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).