4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine

C14H22N4S — CID 106678177

IUPAC4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine
SMILESCC(C)(C)C(CCN)CCc1nc2nccnc2s1
InChIInChI=1S/C14H22N4S/c1-14(2,3)10(6-7-15)4-5-11-18-12-13(19-11)17-9-8-16-12/h8-10H,4-7,15H2,1-3H3
InChIKeyKNBWJFRGCZSVQL-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.03
Rot. Bonds5

About 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine

4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine (PubChem CID 106678177) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine
PubChem CID106678177
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine
SMILESCC(C)(C)C(CCN)CCc1nc2nccnc2s1
InChIInChI=1S/C14H22N4S/c1-14(2,3)10(6-7-15)4-5-11-18-12-13(19-11)17-9-8-16-12/h8-10H,4-7,15H2,1-3H3
InChIKeyKNBWJFRGCZSVQL-UHFFFAOYSA-N
XLogP3.03
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butan-2-amine
CID 106678195
2-ethyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-ylmethyl)butanoic acid
CID 106678089
1,1,1-trifluoro-3-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-2-one
CID 106679426
1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethanamine
CID 106678219
2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)butan-2-amine
CID 65335832
3-ethyl-4,4-dimethylpentan-1-amine
CID 134419150
4-(2-aminoethyl)-5,5-dimethyl-1-(1-methylimidazol-4-yl)hexan-1-one
CID 114272855
N-methyl-2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)propan-1-amine
CID 130769841
4-(2-aminoethyl)-1-(1,4-dimethylpyrazol-5-yl)-5,5-dimethylhexan-1-one
CID 112742456
8-[3-(2-aminoethyl)-4,4-dimethylpentyl]-3,7-dihydropurine-2,6-dione
CID 114402156
3-[2-(5-methoxy-1,3-benzoxazol-2-yl)ethyl]-4,4-dimethylpentan-1-amine
CID 102697004
N-[(4-aminopyrimidin-2-yl)methyl]-[1,3]thiazolo[4,5-b]pyrazin-2-amine
CID 167754933

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine (CID 106678177) is 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine is CC(C)(C)C(CCN)CCc1nc2nccnc2s1.
What is the InChIKey of 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine?
The InChIKey is KNBWJFRGCZSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-14(2,3)10(6-7-15)4-5-11-18-12-13(19-11)17-9-8-16-12/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine?
4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[2-([1,3]thiazolo[4,5-b]pyrazin-2-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 106678177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).