2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid

C15H19N3O2S — CID 104527370

IUPAC2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)c1ccc(Nc2nc(C(N)C(=O)O)cs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)9-4-6-10(7-5-9)17-14-18-11(8-21-14)12(16)13(19)20/h4-8,12H,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMYBNFVRTROLSGU-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.27
Rot. Bonds4

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

2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527370) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527370
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(C)c1ccc(Nc2nc(C(N)C(=O)O)cs2)cc1
InChIInChI=1S/C15H19N3O2S/c1-15(2,3)9-4-6-10(7-5-9)17-14-18-11(8-21-14)12(16)13(19)20/h4-8,12H,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyMYBNFVRTROLSGU-UHFFFAOYSA-N
XLogP3.27
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863
2-amino-2-[2-(2,6-dibromoanilino)-1,3-thiazol-4-yl]acetic acid
CID 107604300
2-amino-2-[2-(3-bromo-4-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 104528017
2-amino-2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 113422990
2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid
CID 113422994
2-amino-2-[2-(3,3-dimethylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104830469
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076
2-amino-2-[2-[(4-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 104527885
2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 104527253

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid (CID 104527370) is 2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid is CC(C)(C)c1ccc(Nc2nc(C(N)C(=O)O)cs2)cc1.
What is the InChIKey of 2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MYBNFVRTROLSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-15(2,3)9-4-6-10(7-5-9)17-14-18-11(8-21-14)12(16)13(19)20/h4-8,12H,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 305.40 g/mol, XLogP of 3.27, 4 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-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).