N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine

C13H22N2O2S2 — CID 81038989

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
SMILESCC(C)(C)c1csc(CNCC2CCCS2(=O)=O)n1
InChIInChI=1S/C13H22N2O2S2/c1-13(2,3)11-9-18-12(15-11)8-14-7-10-5-4-6-19(10,16)17/h9-10,14H,4-8H2,1-3H3
InChIKeyWVURSQJHGMCEFI-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.11
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine (PubChem CID 81038989) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
PubChem CID81038989
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
SMILESCC(C)(C)c1csc(CNCC2CCCS2(=O)=O)n1
InChIInChI=1S/C13H22N2O2S2/c1-13(2,3)11-9-18-12(15-11)8-14-7-10-5-4-6-19(10,16)17/h9-10,14H,4-8H2,1-3H3
InChIKeyWVURSQJHGMCEFI-UHFFFAOYSA-N
XLogP2.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1,1-dioxothiolan-2-yl)methylcarbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 81043037
1-(1,1-dioxothiolan-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 81038527
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 81040640
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95598021
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
CID 115882106
5-[[(1,1-dioxothiolan-2-yl)methylamino]methyl]thiophene-3-carbonitrile
CID 81038446
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-iodopropan-1-amine
CID 114503717
N'-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 79816956
1-(1,1-dioxothiolan-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine
CID 81039269
1-(1,1-dioxothiolan-2-yl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 81039345
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 79032529

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine (CID 81038989) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine is CC(C)(C)c1csc(CNCC2CCCS2(=O)=O)n1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine?
The InChIKey is WVURSQJHGMCEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-13(2,3)11-9-18-12(15-11)8-14-7-10-5-4-6-19(10,16)17/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine has a molecular weight of 302.46 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine is sourced from PubChem (CID 81038989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).