2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine

C12H23N3S — CID 63844168

IUPAC2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
SMILESCCCC(C)(CN)N(C)Cc1scnc1C
InChIInChI=1S/C12H23N3S/c1-5-6-12(3,8-13)15(4)7-11-10(2)14-9-16-11/h9H,5-8,13H2,1-4H3
InChIKeyWYKCJUZHVCKBIE-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.40
Rot. Bonds6

About 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine

2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine (PubChem CID 63844168) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
PubChem CID63844168
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine
SMILESCCCC(C)(CN)N(C)Cc1scnc1C
InChIInChI=1S/C12H23N3S/c1-5-6-12(3,8-13)15(4)7-11-10(2)14-9-16-11/h9H,5-8,13H2,1-4H3
InChIKeyWYKCJUZHVCKBIE-UHFFFAOYSA-N
XLogP2.40
TPSA42.15 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 113493218
2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 64919535
3-amino-N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide;dihydrochloride
CID 119876577
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79661509
2-N,2-dimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptane-1,2-diamine
CID 80557362
N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine
CID 63837192
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]but-2-ene-1,4-diamine
CID 77110220
2-amino-N,3,3-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 77009506
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]formamide
CID 64992231
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 55259980

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine (CID 63844168) is 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine is CCCC(C)(CN)N(C)Cc1scnc1C.
What is the InChIKey of 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine?
The InChIKey is WYKCJUZHVCKBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-6-12(3,8-13)15(4)7-11-10(2)14-9-16-11/h9H,5-8,13H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine?
2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 63844168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).