2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid

C10H17N3O2S — CID 104527355

IUPAC2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCC(C)Nc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C10H17N3O2S/c1-3-4-6(2)12-10-13-7(5-16-10)8(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPQWMSYWZZPASHK-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.83
Rot. Bonds6

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

2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527355) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527355
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCCCC(C)Nc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C10H17N3O2S/c1-3-4-6(2)12-10-13-7(5-16-10)8(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPQWMSYWZZPASHK-UHFFFAOYSA-N
XLogP1.83
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid (CID 104527355) is 2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid is CCCC(C)Nc1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PQWMSYWZZPASHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-4-6(2)12-10-13-7(5-16-10)8(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 243.33 g/mol, XLogP of 1.83, 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-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).