2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide

C12H22N4OS — CID 106047664

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(C)CCCNC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H22N4OS/c1-9(2)16(3)6-4-5-14-11(17)7-10-8-18-12(13)15-10/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyXJCDUBLGMJATDQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.11
Rot. Bonds7

About 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide (PubChem CID 106047664) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
PubChem CID106047664
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
SMILESCC(C)N(C)CCCNC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H22N4OS/c1-9(2)16(3)6-4-5-14-11(17)7-10-8-18-12(13)15-10/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyXJCDUBLGMJATDQ-UHFFFAOYSA-N
XLogP1.11
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-3-ethylpentyl]acetamide
CID 62798402
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-(2-aminophenyl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033035
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid
CID 79456857
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide (CID 106047664) is 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide is CC(C)N(C)CCCNC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
The InChIKey is XJCDUBLGMJATDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-9(2)16(3)6-4-5-14-11(17)7-10-8-18-12(13)15-10/h8-9H,4-7H2,1-3H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide has a molecular weight of 270.40 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide is sourced from PubChem (CID 106047664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).