4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine

C13H25N3S — CID 65484657

IUPAC4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)CC(C)(C)NCCc1csc(N)n1
InChIInChI=1S/C13H25N3S/c1-12(2,3)9-13(4,5)15-7-6-10-8-17-11(14)16-10/h8,15H,6-7,9H2,1-5H3,(H2,14,16)
InChIKeyDNKGLXQSLZCKHR-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.07
Rot. Bonds5

About 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine

4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 65484657) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID65484657
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)CC(C)(C)NCCc1csc(N)n1
InChIInChI=1S/C13H25N3S/c1-12(2,3)9-13(4,5)15-7-6-10-8-17-11(14)16-10/h8,15H,6-7,9H2,1-5H3,(H2,14,16)
InChIKeyDNKGLXQSLZCKHR-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 54244678
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 65485245
4-[2-[(1-methylcyclopentyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483108
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
4-(2-cyclopropylethyl)-1,3-thiazol-2-amine
CID 127017249
4-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484860
4-[3-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,3-thiazol-2-amine
CID 80655552
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 66228739

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine (CID 65484657) is 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine is CC(C)(C)CC(C)(C)NCCc1csc(N)n1.
What is the InChIKey of 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is DNKGLXQSLZCKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-12(2,3)9-13(4,5)15-7-6-10-8-17-11(14)16-10/h8,15H,6-7,9H2,1-5H3,(H2,14,16).
What are the key properties of 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine?
4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65484657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).