ethane;5-propan-2-yl-1,3-thiazol-2-amine

C8H16N2S — CID 178111483

IUPACethane;5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC.CC(C)c1cnc(N)s1
InChIInChI=1S/C6H10N2S.C2H6/c1-4(2)5-3-8-6(7)9-5;1-2/h3-4H,1-2H3,(H2,7,8);1-2H3
InChIKeyLIOWDBXUJVKMIW-UHFFFAOYSA-N
MW172.30 g/mol
LogP2.87
Rot. Bonds1

About ethane;5-propan-2-yl-1,3-thiazol-2-amine

ethane;5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 178111483) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethane;5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID178111483
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Nameethane;5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC.CC(C)c1cnc(N)s1
InChIInChI=1S/C6H10N2S.C2H6/c1-4(2)5-3-8-6(7)9-5;1-2/h3-4H,1-2H3,(H2,7,8);1-2H3
InChIKeyLIOWDBXUJVKMIW-UHFFFAOYSA-N
XLogP2.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dimethylpentan-3-yl)-1,3-thiazol-2-amine
CID 130517381
ethane;5-heptan-3-yl-1,3-thiazol-2-amine
CID 156888648
5-(1-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 87904323
2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 159209209
2-tert-butyl-5-propan-2-yl-1,3-thiazole
CID 59135224
(2S)-2-(cyclohexylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
CID 87882419
2-isocyano-5-propan-2-yl-1,3-thiazole
CID 177099753
2-(4-methylpentyl)-5-propan-2-yl-1,3-thiazole
CID 58350063
ethane;5-phenyl-1,3-thiazol-2-amine
CID 142092018
(2-amino-1,3-thiazol-5-yl)-(4-fluorophenyl)methanol
CID 112694574
5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-amine
CID 131701578
(2S)-2-(1-cyclopentylpropan-2-ylamino)pentanoic acid;5-propan-2-yl-1,3-thiazol-2-amine
CID 87882417

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of ethane;5-propan-2-yl-1,3-thiazol-2-amine (CID 178111483) is ethane;5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for ethane;5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for ethane;5-propan-2-yl-1,3-thiazol-2-amine is CC.CC(C)c1cnc(N)s1.
What is the InChIKey of ethane;5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is LIOWDBXUJVKMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S.C2H6/c1-4(2)5-3-8-6(7)9-5;1-2/h3-4H,1-2H3,(H2,7,8);1-2H3.
What are the key properties of ethane;5-propan-2-yl-1,3-thiazol-2-amine?
ethane;5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 172.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 178111483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).