3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide

C12H21N3OS — CID 65266866

IUPAC3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCc1cscn1
InChIInChI=1S/C12H21N3OS/c1-11(2,12(3,4)13)10(16)14-6-5-9-7-17-8-15-9/h7-8H,5-6,13H2,1-4H3,(H,14,16)
InChIKeyCFKWOPTUKKSJBN-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.57
Rot. Bonds5

About 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide

3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide (PubChem CID 65266866) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
PubChem CID65266866
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCc1cscn1
InChIInChI=1S/C12H21N3OS/c1-11(2,12(3,4)13)10(16)14-6-5-9-7-17-8-15-9/h7-8H,5-6,13H2,1-4H3,(H,14,16)
InChIKeyCFKWOPTUKKSJBN-UHFFFAOYSA-N
XLogP1.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2-dimethyl-3-sulfanylidene-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 63826251
2-(aminomethyl)-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 115432547
2-cyano-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63825896
3-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 106112900
2-[ethyl-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 63824166
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
2-carbamothioyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 63826075
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
1-propyl-3-[2-(1,3-thiazol-4-yl)ethyl]thiourea
CID 115731914
2-(2-methoxyethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 79281124
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
1-cyclopentyl-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 84516169

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide (CID 65266866) is 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide is CC(C)(N)C(C)(C)C(=O)NCCc1cscn1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
The InChIKey is CFKWOPTUKKSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-11(2,12(3,4)13)10(16)14-6-5-9-7-17-8-15-9/h7-8H,5-6,13H2,1-4H3,(H,14,16).
What are the key properties of 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide?
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide has a molecular weight of 255.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 65266866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).