(2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid

C14H19N3O3S — CID 103926426

IUPAC(2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1cn2c(CC(=O)N[C@@H](C(=O)O)C(C)(C)C)csc2n1
InChIInChI=1S/C14H19N3O3S/c1-8-6-17-9(7-21-13(17)15-8)5-10(18)16-11(12(19)20)14(2,3)4/h6-7,11H,5H2,1-4H3,(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeyBNAMIVWBMQSFRQ-NSHDSACASA-N
MW309.39 g/mol
LogP1.86
Rot. Bonds4

About (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid

(2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid (PubChem CID 103926426) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid
PubChem CID103926426
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name(2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid
SMILESCc1cn2c(CC(=O)N[C@@H](C(=O)O)C(C)(C)C)csc2n1
InChIInChI=1S/C14H19N3O3S/c1-8-6-17-9(7-21-13(17)15-8)5-10(18)16-11(12(19)20)14(2,3)4/h6-7,11H,5H2,1-4H3,(H,16,18)(H,19,20)/t11-/m0/s1
InChIKeyBNAMIVWBMQSFRQ-NSHDSACASA-N
XLogP1.86
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

4-[(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)methylamino]-4-oxobutanoic acid
CID 5310272
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide
CID 42924516
3,3,3-Trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid
CID 79791667
2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 105648464
N-(3,3-difluoro-2-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 105648988
N-(2,2-difluoro-3-hydroxypropyl)-2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 106168638
4-(2-Imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-4-oxobutanoic acid
CID 7150819
4-[2-(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 7150824
2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)-N-(2-sulfanylethyl)acetamide
CID 177679593
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylacetamide
CID 35807227
2-(6-Methylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 43091254
2-(3-Methylimidazo[2,1-b][1,3]thiazol-6-yl)propanamide
CID 57248362

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid (CID 103926426) is (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid is Cc1cn2c(CC(=O)N[C@@H](C(=O)O)C(C)(C)C)csc2n1.
What is the InChIKey of (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid?
The InChIKey is BNAMIVWBMQSFRQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8-6-17-9(7-21-13(17)15-8)5-10(18)16-11(12(19)20)14(2,3)4/h6-7,11H,5H2,1-4H3,(H,16,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid?
(2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid has a molecular weight of 309.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 103926426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).