2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine

C13H25N3S — CID 55073872

IUPAC2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H25N3S/c1-6-13(7-14-10(2)3)16(5)8-12-9-17-11(4)15-12/h9-10,13-14H,6-8H2,1-5H3
InChIKeyGIWNNQHKIUULDG-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.66
Rot. Bonds7

About 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine

2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 55073872) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID55073872
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(CNC(C)C)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H25N3S/c1-6-13(7-14-10(2)3)16(5)8-12-9-17-11(4)15-12/h9-10,13-14H,6-8H2,1-5H3
InChIKeyGIWNNQHKIUULDG-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine with MolForge

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Related Compounds

2-N-methyl-1-N-propan-2-yl-2-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 62426830
1-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 104555115
1-N-ethyl-3-N,2-dimethyl-3-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 81012833
2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine
CID 63837536
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]butanehydrazide
CID 63585046
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112661039
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
N'-hydroxy-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanimidamide
CID 76930177
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62282160
N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]pentan-2-amine
CID 62434002

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine (CID 55073872) is 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine is CCC(CNC(C)C)N(C)Cc1csc(C)n1.
What is the InChIKey of 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is GIWNNQHKIUULDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-13(7-14-10(2)3)16(5)8-12-9-17-11(4)15-12/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine?
2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 255.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 55073872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).