4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine

C13H18N2OS — CID 62961372

IUPAC4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)CCc2ccco2)n1
InChIInChI=1S/C13H18N2OS/c1-3-11-9-17-13(15-11)14-10(2)6-7-12-5-4-8-16-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyQNCQIQMXEUENFN-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.73
Rot. Bonds6

About 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine

4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine (PubChem CID 62961372) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine
PubChem CID62961372
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)CCc2ccco2)n1
InChIInChI=1S/C13H18N2OS/c1-3-11-9-17-13(15-11)14-10(2)6-7-12-5-4-8-16-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyQNCQIQMXEUENFN-UHFFFAOYSA-N
XLogP3.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
CID 4516381
2-[4-(furan-2-yl)butan-2-ylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47018684
N-[4-(furan-2-yl)butan-2-yl]-4-propylaniline
CID 43478896
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
5-(ethylaminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-1,3,4-oxadiazol-2-amine
CID 106959619
N-[4-(furan-2-yl)butan-2-yl]-2-methylquinolin-4-amine
CID 60716310
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid
CID 80571184
N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine
CID 60715726
N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine (CID 62961372) is 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine is CCc1csc(NC(C)CCc2ccco2)n1.
What is the InChIKey of 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine?
The InChIKey is QNCQIQMXEUENFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-11-9-17-13(15-11)14-10(2)6-7-12-5-4-8-16-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine?
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine has a molecular weight of 250.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62961372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).