N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine

C12H23N3S — CID 78992561

IUPACN,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
SMILESCc1csc(CNCC(C)(C)CN(C)C)n1
InChIInChI=1S/C12H23N3S/c1-10-7-16-11(14-10)6-13-8-12(2,3)9-15(4)5/h7,13H,6,8-9H2,1-5H3
InChIKeyCIJWCAMWYGLKRH-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.13
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 78992561) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
PubChem CID78992561
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
SMILESCc1csc(CNCC(C)(C)CN(C)C)n1
InChIInChI=1S/C12H23N3S/c1-10-7-16-11(14-10)6-13-8-12(2,3)9-15(4)5/h7,13H,6,8-9H2,1-5H3
InChIKeyCIJWCAMWYGLKRH-UHFFFAOYSA-N
XLogP2.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 103698488
2-methyl-2-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115664534
N'-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758883
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 104878338
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61044333
N-[(4-bromothiophen-2-yl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 28833335
2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
2-(2,5-dimethylfuran-3-yl)-1-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 111467697
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103721557
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine (CID 78992561) is N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine is Cc1csc(CNCC(C)(C)CN(C)C)n1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is CIJWCAMWYGLKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-10-7-16-11(14-10)6-13-8-12(2,3)9-15(4)5/h7,13H,6,8-9H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 78992561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).