4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine

C11H17N3S — CID 2123303

IUPAC4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(NC2=NCCC2)n1
InChIInChI=1S/C11H17N3S/c1-11(2,3)8-7-15-10(13-8)14-9-5-4-6-12-9/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyLTDNEQXTJTYIDP-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.04
Rot. Bonds1

About 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine

4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine (PubChem CID 2123303) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine
PubChem CID2123303
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(NC2=NCCC2)n1
InChIInChI=1S/C11H17N3S/c1-11(2,3)8-7-15-10(13-8)14-9-5-4-6-12-9/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyLTDNEQXTJTYIDP-UHFFFAOYSA-N
XLogP3.04
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-Butyl-1,3-thiazol-2-amine
CID 2734202
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 4272947
3-[(4-Tert-butyl-1,3-thiazol-2-yl)(2-cyanoethyl)amino]propanenitrile
CID 3244892
N-(4-tert-Butyl-1,3-thiazol-2-yl)acetamide
CID 588190
4-tert-butyl-N-methyl-1,3-thiazol-2-amine
CID 4175801
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 57792389
2-[1-[(4-Tert-butyl-1,3-thiazol-2-yl)amino]ethylidene]propanedinitrile
CID 8099253
N-(4-methyl-1,3-thiazol-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2317865
4-tert-Butyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 12910384
2-Isopropylamino-4-ethylthiazole
CID 58336980
4-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 58111294
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 857039

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine (CID 2123303) is 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine is CC(C)(C)c1csc(NC2=NCCC2)n1.
What is the InChIKey of 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is LTDNEQXTJTYIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-11(2,3)8-7-15-10(13-8)14-9-5-4-6-12-9/h7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine?
4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 223.34 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2123303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).