N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine

C12H23N3S — CID 106143003

IUPACN-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCCc1csc(NCC(C)(C)CCCN)n1
InChIInChI=1S/C12H23N3S/c1-4-10-8-16-11(15-10)14-9-12(2,3)6-5-7-13/h8H,4-7,9,13H2,1-3H3,(H,14,15)
InChIKeyGJTDETYGNLIRIX-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.88
Rot. Bonds7

About N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine

N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine (PubChem CID 106143003) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine
PubChem CID106143003
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCCc1csc(NCC(C)(C)CCCN)n1
InChIInChI=1S/C12H23N3S/c1-4-10-8-16-11(15-10)14-9-12(2,3)6-5-7-13/h8H,4-7,9,13H2,1-3H3,(H,14,15)
InChIKeyGJTDETYGNLIRIX-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,2-dimethylheptylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488181
4-chloro-N-(2,2-dimethylheptyl)-1,3-thiazol-2-amine
CID 83152792
1-(dimethylamino)-3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-methylpropan-2-ol
CID 103837763
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
N-(1,3-benzothiazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 114149292
3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol
CID 64541944
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
2-N-(4-ethyl-1,3-thiazol-2-yl)hexane-1,2-diamine
CID 80704374
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine
CID 115691846

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine?
The IUPAC name of N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine (CID 106143003) is N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine?
The canonical SMILES for N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine is CCc1csc(NCC(C)(C)CCCN)n1.
What is the InChIKey of N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine?
The InChIKey is GJTDETYGNLIRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-10-8-16-11(15-10)14-9-12(2,3)6-5-7-13/h8H,4-7,9,13H2,1-3H3,(H,14,15).
What are the key properties of N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine?
N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 106143003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).