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

C10H17N3OS — CID 63837959

IUPAC2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCC(N)C(=O)N(C)Cc1scnc1C
InChIInChI=1S/C10H17N3OS/c1-4-8(11)10(14)13(3)5-9-7(2)12-6-15-9/h6,8H,4-5,11H2,1-3H3
InChIKeyRJGMBXIRCHOIJP-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.15
Rot. Bonds4

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

2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (PubChem CID 63837959) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
PubChem CID63837959
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
SMILESCCC(N)C(=O)N(C)Cc1scnc1C
InChIInChI=1S/C10H17N3OS/c1-4-8(11)10(14)13(3)5-9-7(2)12-6-15-9/h6,8H,4-5,11H2,1-3H3
InChIKeyRJGMBXIRCHOIJP-UHFFFAOYSA-N
XLogP1.15
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009506
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
2-amino-N-methyl-2-(4-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 106151711
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-sulfanylbutanamide
CID 107030171
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 81079726
2-(butan-2-ylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63836373
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
3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119876577
2-methyl-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanoic acid
CID 79413835

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The IUPAC name of 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide (CID 63837959) is 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The canonical SMILES for 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is CCC(N)C(=O)N(C)Cc1scnc1C.
What is the InChIKey of 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
The InChIKey is RJGMBXIRCHOIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-8(11)10(14)13(3)5-9-7(2)12-6-15-9/h6,8H,4-5,11H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide?
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 63837959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).