2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide

C12H21N3OS — CID 77009506

IUPAC2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCc1ncsc1CN(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H21N3OS/c1-8-9(17-7-14-8)6-15(5)11(16)10(13)12(2,3)4/h7,10H,6,13H2,1-5H3
InChIKeyXRGNLQHYHRPOLO-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.78
Rot. Bonds3

About 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide

2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 77009506) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID77009506
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCc1ncsc1CN(C)C(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H21N3OS/c1-8-9(17-7-14-8)6-15(5)11(16)10(13)12(2,3)4/h7,10H,6,13H2,1-5H3
InChIKeyXRGNLQHYHRPOLO-UHFFFAOYSA-N
XLogP1.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 63837959
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-sulfanylbutanamide
CID 107030171
2-amino-N-methyl-2-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 106151711
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119876577
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119876567
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009567
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 81079726
2-(4-aminophenyl)-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 80555225
2-carbamothioyl-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 114292314
3-methyl-2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]amino]butanoic acid
CID 55260194
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 77009506) is 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is Cc1ncsc1CN(C)C(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is XRGNLQHYHRPOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-9(17-7-14-8)6-15(5)11(16)10(13)12(2,3)4/h7,10H,6,13H2,1-5H3.
What are the key properties of 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 255.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 77009506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).