2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine

C12H23N3S — CID 112643294

IUPAC2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine
SMILESCCC(C)(C(Cc1cncs1)NC)N(C)C
InChIInChI=1S/C12H23N3S/c1-6-12(2,15(4)5)11(13-3)7-10-8-14-9-16-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyAKZUKVMIPBQCQZ-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.00
Rot. Bonds6

About 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine

2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine (PubChem CID 112643294) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine
PubChem CID112643294
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine
SMILESCCC(C)(C(Cc1cncs1)NC)N(C)C
InChIInChI=1S/C12H23N3S/c1-6-12(2,15(4)5)11(13-3)7-10-8-14-9-16-10/h8-9,11,13H,6-7H2,1-5H3
InChIKeyAKZUKVMIPBQCQZ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine?
The IUPAC name of 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine (CID 112643294) is 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine.
What is the SMILES notation for 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine?
The canonical SMILES for 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine is CCC(C)(C(Cc1cncs1)NC)N(C)C.
What is the InChIKey of 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine?
The InChIKey is AKZUKVMIPBQCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-6-12(2,15(4)5)11(13-3)7-10-8-14-9-16-10/h8-9,11,13H,6-7H2,1-5H3.
What are the key properties of 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine?
2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,3-N,3-tetramethyl-1-(1,3-thiazol-5-yl)pentane-2,3-diamine is sourced from PubChem (CID 112643294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).