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

C13H22N2S2 — CID 115882106

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
SMILESCC(C)(C)c1csc(CNC2CCCSC2)n1
InChIInChI=1S/C13H22N2S2/c1-13(2,3)11-9-17-12(15-11)7-14-10-5-4-6-16-8-10/h9-10,14H,4-8H2,1-3H3
InChIKeyICHDSJNBBOSOHN-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.43
Rot. Bonds3

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

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine (PubChem CID 115882106) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
PubChem CID115882106
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
SMILESCC(C)(C)c1csc(CNC2CCCSC2)n1
InChIInChI=1S/C13H22N2S2/c1-13(2,3)11-9-17-12(15-11)7-14-10-5-4-6-16-8-10/h9-10,14H,4-8H2,1-3H3
InChIKeyICHDSJNBBOSOHN-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethylcyclohexan-1-amine
CID 79032529
(3R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]thian-3-amine
CID 125435143
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 115882093
N-[(2,6-dimethylphenyl)methyl]thian-3-amine
CID 115897863
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-ethylcyclohexan-1-amine
CID 79817611
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(thiolan-3-yl)ethanone
CID 105118311
5-[[[(3R)-thian-3-yl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 125437741
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 79817647
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 106887629
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 81038989
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
CID 82714724

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine (CID 115882106) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine is CC(C)(C)c1csc(CNC2CCCSC2)n1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine?
The InChIKey is ICHDSJNBBOSOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-13(2,3)11-9-17-12(15-11)7-14-10-5-4-6-16-8-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine has a molecular weight of 270.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine is sourced from PubChem (CID 115882106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).