2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid

C14H23N3O2S — CID 104527741

IUPAC2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCC1CCC(CNc2nc(C(N)C(=O)O)cs2)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-9-3-5-10(6-4-9)7-16-14-17-11(8-20-14)12(15)13(18)19/h8-10,12H,2-7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyNVCVNQLDAJXKFF-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.86
Rot. Bonds6

About 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527741) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID104527741
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCC1CCC(CNc2nc(C(N)C(=O)O)cs2)CC1
InChIInChI=1S/C14H23N3O2S/c1-2-9-3-5-10(6-4-9)7-16-14-17-11(8-20-14)12(15)13(18)19/h8-10,12H,2-7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyNVCVNQLDAJXKFF-UHFFFAOYSA-N
XLogP2.86
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-[(1-ethylpiperidin-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527698
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CID 104527437
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 104527298
2-amino-2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527337
2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 113423133
2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527355
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-(3,3-dimethylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104830469
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434
2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106343023

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid (CID 104527741) is 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid is CCC1CCC(CNc2nc(C(N)C(=O)O)cs2)CC1.
What is the InChIKey of 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is NVCVNQLDAJXKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-2-9-3-5-10(6-4-9)7-16-14-17-11(8-20-14)12(15)13(18)19/h8-10,12H,2-7,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 297.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).