4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C14H20N4S2 — CID 82439666

IUPAC4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N2CCCC2)sc1-c1csc(N)n1
InChIInChI=1S/C14H20N4S2/c1-14(2,3)11-10(9-8-19-12(15)16-9)20-13(17-11)18-6-4-5-7-18/h8H,4-7H2,1-3H3,(H2,15,16)
InChIKeyWUUFJFLFIQNWII-UHFFFAOYSA-N
MW308.48 g/mol
LogP3.75
Rot. Bonds2

About 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82439666) has the molecular formula C14H20N4S2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82439666
Molecular FormulaC14H20N4S2
Molecular Weight308.48 g/mol
Exact Mass308.11
IUPAC Name4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N2CCCC2)sc1-c1csc(N)n1
InChIInChI=1S/C14H20N4S2/c1-14(2,3)11-10(9-8-19-12(15)16-9)20-13(17-11)18-6-4-5-7-18/h8H,4-7H2,1-3H3,(H2,15,16)
InChIKeyWUUFJFLFIQNWII-UHFFFAOYSA-N
XLogP3.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-tert-butyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82438221
2-piperidin-1-yl-4-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)propan-2-yl]-1,3-thiazole
CID 27060618
4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432354
2-[2-(azepan-1-yl)-4-tert-butyl-1,3-thiazol-5-yl]acetonitrile
CID 82439768
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 116808037
2-(4-methyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-2-amine
CID 82427864
4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82441496
5-methyl-2-piperidin-1-yl-1,3-thiazol-4-amine
CID 83108734
5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 126477214
[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63627381
1-[4-methyl-5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]propan-2-one
CID 71172388
[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63161163

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82439666) is 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CC(C)(C)c1nc(N2CCCC2)sc1-c1csc(N)n1.
What is the InChIKey of 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is WUUFJFLFIQNWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S2/c1-14(2,3)11-10(9-8-19-12(15)16-9)20-13(17-11)18-6-4-5-7-18/h8H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 308.48 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82439666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).